57343581
  -OEChem-04282423542D

138146  0     1  0  0  0  0  0999 V2000
    5.5982    7.3818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0262    2.0274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1602    0.5274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7583    1.0274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7583   -0.9726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0262   -1.9726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4281   -0.4726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2942   -1.9726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0262   -3.9726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2942   -4.9726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5621   -3.9726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1602   -5.4726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5621   -0.9726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7583   -4.9726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7583   -6.9726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0262   -7.9726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4281   -6.4726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6368    7.8786    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6742    5.1511    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5383    5.6545    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9346    5.8154    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4062    5.1578    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4101    4.1578    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3362    6.7247    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3061    3.6266    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3253    6.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6780    4.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9518    5.9183    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5460    3.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2102    4.1439    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2981    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7443    6.8844    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2061    5.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8101    4.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2852    2.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1560    3.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4381    3.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370    6.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2836    5.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2185    1.9885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1602    2.5274    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0223    6.6982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7220    8.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9148    7.6924    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0000    8.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0262    1.0274    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.8922    0.5274    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.8922   -0.4726    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1602   -0.4726    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.0262   -0.9726    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2942   -0.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1602   -2.4726    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1602   -3.4726    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2942   -3.9726    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4281   -2.4726    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4281   -3.4726    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5621   -1.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0262   -4.9726    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.8922   -5.4726    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.8922   -6.4726    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1602   -6.4726    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.0262   -6.9726    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2942   -6.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2234    6.1576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5895    5.0386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3964    6.0078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1478    4.5800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6779    7.5030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9415    6.6939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3220    7.2455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0670    4.2564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4682    3.5677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3526    6.0777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1493    3.1780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9463    3.1811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9430    4.5746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6899    6.1764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917    6.1641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8174    5.0818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4129    5.7700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4980    5.1835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2744    4.3357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1222    4.1121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6765    2.6596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0649    1.9622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7673    3.5086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3628    4.1968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1302    3.6681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000    2.8220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7460    2.5918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5918    5.7792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3843    5.8649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8223    5.5886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8693    4.7130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7449    4.7600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8157    1.5171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6139    1.5110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1590    1.9074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1373    8.2446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4036    6.7396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8741    6.0962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0672    8.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2747    8.7120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4143    7.3265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2505    8.6636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4328    8.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7495    7.5293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5631    1.3374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4292    0.2174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4292   -0.1626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6232   -0.1626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5631   -1.2826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7583    1.6474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8956   -1.4476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6927   -1.4476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2952   -0.6626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1602   -1.8526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4281    0.1474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1602   -4.0926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7572   -4.2826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4281   -1.8526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8912   -3.1627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9515   -1.8650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3500   -2.5553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5631   -4.6626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7572   -5.2826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0252   -3.6626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4292   -5.7826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4292   -6.1626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6232   -6.1626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5631   -7.2826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0252   -0.6626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2952   -5.2826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8956   -7.4476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6927   -7.4476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7583   -7.5926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4893   -8.2826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8912   -6.7826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
 32  1  1  6  0  0  0
 41  2  1  1  0  0  0
 46  2  1  1  0  0  0
  3 46  1  0  0  0  0
  3 49  1  0  0  0  0
 47  4  1  6  0  0  0
  4113  1  0  0  0  0
 48  5  1  1  0  0  0
  5116  1  0  0  0  0
 50  6  1  1  0  0  0
 52  6  1  1  0  0  0
  7 51  1  0  0  0  0
  7118  1  0  0  0  0
  8 52  1  0  0  0  0
  8 55  1  0  0  0  0
 53  9  1  6  0  0  0
 58  9  1  1  0  0  0
 54 10  1  1  0  0  0
 10126  1  0  0  0  0
 56 11  1  6  0  0  0
 11127  1  0  0  0  0
 12 58  1  0  0  0  0
 12 61  1  0  0  0  0
 13 57  1  0  0  0  0
 13132  1  0  0  0  0
 59 14  1  6  0  0  0
 14133  1  0  0  0  0
 60 15  1  1  0  0  0
 15136  1  0  0  0  0
 62 16  1  6  0  0  0
 16137  1  0  0  0  0
 17 63  1  0  0  0  0
 17138  1  0  0  0  0
 18 32  1  0  0  0  0
 18 43  1  0  0  0  0
 18 99  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 27  1  0  0  0  0
 19 34  1  1  0  0  0
 20 22  1  0  0  0  0
 20 26  1  0  0  0  0
 20 64  1  6  0  0  0
 21 24  1  0  0  0  0
 21 28  1  0  0  0  0
 21 65  1  6  0  0  0
 22 23  1  0  0  0  0
 22 31  1  0  0  0  0
 22 66  1  1  0  0  0
 23 25  1  0  0  0  0
 23 29  1  0  0  0  0
 23 67  1  6  0  0  0
 24 26  1  0  0  0  0
 24 68  1  6  0  0  0
 25 30  1  0  0  0  0
 25 35  1  0  0  0  0
 25 37  1  1  0  0  0
 26 69  1  0  0  0  0
 26 70  1  0  0  0  0
 27 29  1  0  0  0  0
 27 71  1  0  0  0  0
 27 72  1  0  0  0  0
 28 32  1  0  0  0  0
 28 39  1  6  0  0  0
 28 73  1  0  0  0  0
 29 74  1  0  0  0  0
 29 75  1  0  0  0  0
 30 33  1  0  0  0  0
 30 36  1  0  0  0  0
 30 76  1  6  0  0  0
 31 33  1  0  0  0  0
 31 77  1  0  0  0  0
 31 78  1  0  0  0  0
 32 38  1  0  0  0  0
 33 79  1  0  0  0  0
 33 80  1  0  0  0  0
 34 81  1  0  0  0  0
 34 82  1  0  0  0  0
 34 83  1  0  0  0  0
 35 40  1  0  0  0  0
 35 84  1  0  0  0  0
 35 85  1  0  0  0  0
 36 41  1  0  0  0  0
 36 86  1  0  0  0  0
 36 87  1  0  0  0  0
 37 88  1  0  0  0  0
 37 89  1  0  0  0  0
 37 90  1  0  0  0  0
 38 42  1  0  0  0  0
 38 91  1  0  0  0  0
 38 92  1  0  0  0  0
 39 93  1  0  0  0  0
 39 94  1  0  0  0  0
 39 95  1  0  0  0  0
 40 41  1  0  0  0  0
 40 96  1  0  0  0  0
 40 97  1  0  0  0  0
 41 98  1  0  0  0  0
 42 44  1  0  0  0  0
 42100  1  0  0  0  0
 42101  1  0  0  0  0
 43 44  1  0  0  0  0
 43102  1  0  0  0  0
 43103  1  0  0  0  0
 44 45  1  6  0  0  0
 44104  1  0  0  0  0
 45105  1  0  0  0  0
 45106  1  0  0  0  0
 45107  1  0  0  0  0
 46 47  1  0  0  0  0
 46108  1  0  0  0  0
 47 48  1  0  0  0  0
 47109  1  0  0  0  0
 48 50  1  0  0  0  0
 48110  1  0  0  0  0
 49 50  1  0  0  0  0
 49 51  1  1  0  0  0
 49111  1  0  0  0  0
 50112  1  0  0  0  0
 51114  1  0  0  0  0
 51115  1  0  0  0  0
 52 53  1  0  0  0  0
 52117  1  0  0  0  0
 53 54  1  0  0  0  0
 53119  1  0  0  0  0
 54 56  1  0  0  0  0
 54120  1  0  0  0  0
 55 56  1  0  0  0  0
 55 57  1  1  0  0  0
 55121  1  0  0  0  0
 56122  1  0  0  0  0
 57123  1  0  0  0  0
 57124  1  0  0  0  0
 58 59  1  0  0  0  0
 58125  1  0  0  0  0
 59 60  1  0  0  0  0
 59128  1  0  0  0  0
 60 62  1  0  0  0  0
 60129  1  0  0  0  0
 61 62  1  0  0  0  0
 61 63  1  1  0  0  0
 61130  1  0  0  0  0
 62131  1  0  0  0  0
 63134  1  0  0  0  0
 63135  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
57343581

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1580

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
18

> <PUBCHEM_CACTVS_HBOND_DONOR>
11

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB+PgAAAAAAAAAAAAAAAAAAAaIAAAA8aNEiAAASAGDAAAAAHgAQCAAADxzxgAcCCALABgAAAAAAAAAAAAAAAAAAAIAIAAEREAIAgAAuQAAFEACHAAHw8PwPgAAAAAAAAADAAAYAACAAAYAADAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-yl]oxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

> <PUBCHEM_IUPAC_CAS_NAME>
(2S,3R,4S,5S,6R)-2-[[(2S,3R,4S,5S,6R)-2-[[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(1R,2S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethyl-16-spiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]eicosane-6,2'-piperidine]yl]oxy]-3-oxanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>S</I>,3<I>R</I>,4<I>S</I>,5<I>S</I>,6<I>R</I>)-2-[(2<I>S</I>,3<I>R</I>,4<I>S</I>,5<I>S</I>,6<I>R</I>)-2-[(2<I>R</I>,3<I>R</I>,4<I>R</I>,5<I>R</I>,6<I>R</I>)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1<I>R</I>,2<I>S</I>,4<I>S</I>,5&apos;<I>S</I>,6<I>S</I>,7<I>S</I>,8<I>R</I>,9<I>S</I>,12<I>S</I>,13<I>S</I>,16<I>S</I>,18<I>S</I>)-5&apos;,7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0<SUP>2,9</SUP>.0<SUP>4,8</SUP>.0<SUP>13,18</SUP>]icosane-6,2&apos;-piperidine]-16-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_NAME>
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-4,5-bis(oxidanyl)-6-[(1R,2S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-yl]oxy-oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-methylol-6-[(1R,2S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]eicosane-6,2'-piperidine]-16-yl]oxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C45H75NO17/c1-19-7-12-45(46-15-19)20(2)30-26(63-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)57-40-37(56)35(54)38(29(18-49)60-40)61-42-39(34(53)32(51)28(17-48)59-42)62-41-36(55)33(52)31(50)27(16-47)58-41/h19-42,46-56H,5-18H2,1-4H3/t19-,20-,21-,22-,23+,24-,25-,26-,27+,28+,29+,30-,31+,32+,33-,34-,35+,36+,37+,38-,39+,40+,41-,42-,43-,44-,45-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
DMUPZSDWJVULSC-MMQVRIEESA-N

> <PUBCHEM_XLOGP3_AA>
0.9

> <PUBCHEM_EXACT_MASS>
901.50349992

> <PUBCHEM_MOLECULAR_FORMULA>
C45H75NO17

> <PUBCHEM_MOLECULAR_WEIGHT>
902.1

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)C)C)C)NC1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@H]1CC[C@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)C)C)C)NC1

> <PUBCHEM_CACTVS_TPSA>
279

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
901.50349992

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
63

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
27

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
32  1  6
54  10  5
56  11  6
59  14  6
60  15  5
62  16  6
19  34  5
41  2  5
46  2  5
20  64  6
21  65  6
22  66  5
23  67  6
24  68  6
25  37  5
28  39  6
30  76  6
47  4  6
44  45  6
49  51  5
48  5  5
55  57  5
50  6  5
52  6  5
61  63  5
53  9  6
58  9  5

$$$$
