162642254
  -OEChem-04292400242D

123128  0     1  0  0  0  0  0999 V2000
    7.7331    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    6.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -5.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -6.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    5.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    8.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    5.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -6.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -8.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613    6.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -9.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613    8.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    9.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    8.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -8.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -9.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7331   -2.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4651    0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8671   -2.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8671   -1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7331   -0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1972    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3312    1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3312    2.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5991    2.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5991   -2.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3312    4.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8671   -4.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350   -5.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8671   -5.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0010   -5.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3312    5.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.0632    4.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1972    5.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -4.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.0632    7.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -6.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.9292    6.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030   -7.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0632    8.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030   -8.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.7953    7.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7331    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -8.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4651   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -8.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.9292    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    8.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    8.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -8.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    4.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    7.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -6.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    6.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -6.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    8.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -8.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    6.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -8.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -7.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3322    7.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -6.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -6.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    6.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4662    5.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -9.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1982    6.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -9.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3322    3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613    9.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341    9.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -8.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 38  1  1  6  0  0  0
 43  1  1  6  0  0  0
 39  2  1  1  0  0  0
 50  2  1  1  0  0  0
 44  3  1  1  0  0  0
 46  3  1  1  0  0  0
  4 43  1  0  0  0  0
  4 48  1  0  0  0  0
  5 46  1  0  0  0  0
  5 47  1  0  0  0  0
  6 50  1  0  0  0  0
  6 57  1  0  0  0  0
  7 55  1  0  0  0  0
  7 56  1  0  0  0  0
 51  8  1  6  0  0  0
 59  8  1  6  0  0  0
 56  9  1  6  0  0  0
 58  9  1  6  0  0  0
 40 10  1  1  0  0  0
 10102  1  0  0  0  0
 41 11  1  6  0  0  0
 11103  1  0  0  0  0
 42 12  1  6  0  0  0
 12105  1  0  0  0  0
 45 13  1  1  0  0  0
 13106  1  0  0  0  0
 49 14  1  6  0  0  0
 14108  1  0  0  0  0
 15 59  1  0  0  0  0
 15 68  1  0  0  0  0
 52 16  1  1  0  0  0
 16109  1  0  0  0  0
 53 17  1  1  0  0  0
 17110  1  0  0  0  0
 54 18  1  6  0  0  0
 18111  1  0  0  0  0
 19 62  1  0  0  0  0
 19 70  1  0  0  0  0
 60 20  1  1  0  0  0
 20112  1  0  0  0  0
 61 21  1  6  0  0  0
 21113  1  0  0  0  0
 63 22  1  6  0  0  0
 22114  1  0  0  0  0
 64 23  1  1  0  0  0
 23115  1  0  0  0  0
 24 65  1  0  0  0  0
 24117  1  0  0  0  0
 66 25  1  1  0  0  0
 25116  1  0  0  0  0
 26 67  1  0  0  0  0
 26118  1  0  0  0  0
 27 69  1  0  0  0  0
 27119  1  0  0  0  0
 28 65  2  0  0  0  0
 70 29  1  1  0  0  0
 29120  1  0  0  0  0
 30 67  2  0  0  0  0
 31 71  1  0  0  0  0
 31121  1  0  0  0  0
 32 69  2  0  0  0  0
 33 71  2  0  0  0  0
 34 72  1  0  0  0  0
 34122  1  0  0  0  0
 35 72  2  0  0  0  0
 36 73  1  0  0  0  0
 36123  1  0  0  0  0
 37 73  2  0  0  0  0
 38 40  1  0  0  0  0
 38 47  1  0  0  0  0
 38 74  1  0  0  0  0
 39 41  1  0  0  0  0
 39 48  1  0  0  0  0
 39 75  1  0  0  0  0
 40 45  1  0  0  0  0
 40 76  1  0  0  0  0
 41 42  1  0  0  0  0
 41 77  1  0  0  0  0
 42 43  1  0  0  0  0
 42 78  1  0  0  0  0
 43 79  1  0  0  0  0
 44 49  1  0  0  0  0
 44 55  1  0  0  0  0
 44 80  1  0  0  0  0
 45 46  1  0  0  0  0
 45 81  1  0  0  0  0
 46 82  1  0  0  0  0
 47 65  1  1  0  0  0
 47 83  1  0  0  0  0
 48 67  1  6  0  0  0
 48 84  1  0  0  0  0
 49 54  1  0  0  0  0
 49 85  1  0  0  0  0
 50 52  1  0  0  0  0
 50 86  1  0  0  0  0
 51 53  1  0  0  0  0
 51 57  1  0  0  0  0
 51 87  1  0  0  0  0
 52 53  1  0  0  0  0
 52 88  1  0  0  0  0
 53 89  1  0  0  0  0
 54 56  1  0  0  0  0
 54 90  1  0  0  0  0
 55 69  1  6  0  0  0
 55 91  1  0  0  0  0
 56 92  1  0  0  0  0
 57 71  1  1  0  0  0
 57 93  1  0  0  0  0
 58 60  1  0  0  0  0
 58 62  1  0  0  0  0
 58 94  1  0  0  0  0
 59 61  1  0  0  0  0
 59 95  1  0  0  0  0
 60 64  1  0  0  0  0
 60 96  1  0  0  0  0
 61 63  1  0  0  0  0
 61 97  1  0  0  0  0
 62 72  1  1  0  0  0
 62 98  1  0  0  0  0
 63 66  1  0  0  0  0
 63 99  1  0  0  0  0
 64 70  1  0  0  0  0
 64100  1  0  0  0  0
 66 68  1  0  0  0  0
 66101  1  0  0  0  0
 68 73  1  6  0  0  0
 68104  1  0  0  0  0
 70107  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
162642254

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1990

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
37

> <PUBCHEM_CACTVS_HBOND_DONOR>
20

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
16

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB8PgAAAAAAAAAAAAAAAAAAAAAAAAAkSJEiQAAAAAAAAAAAGgAACAAACBSwgAMACAAABgAIAACQCAIAAAAAAAAAAAFAAAAREBYAAAQiQAAFIAAHAAHKbAxAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2S,3S,4S,5S,6R)-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-4,5,6-trihydroxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid

> <PUBCHEM_IUPAC_CAS_NAME>
(2S,3S,4S,5S,6R)-6-[[(2S,3S,4R,5S,6R)-2-carboxy-6-[[(2S,3S,4R,5S,6R)-2-carboxy-6-[[(2S,3S,4R,5S,6R)-2-carboxy-6-[[(2S,3S,4R,5S,6R)-2-carboxy-6-[[(2S,3S,4R,5S,6R)-2-carboxy-4,5,6-trihydroxy-3-oxanyl]oxy]-4,5-dihydroxy-3-oxanyl]oxy]-4,5-dihydroxy-3-oxanyl]oxy]-4,5-dihydroxy-3-oxanyl]oxy]-4,5-dihydroxy-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>S</I>,3<I>S</I>,4<I>S</I>,5<I>S</I>,6<I>R</I>)-6-[(2<I>S</I>,3<I>S</I>,4<I>R</I>,5<I>S</I>,6<I>R</I>)-2-carboxy-6-[(2<I>S</I>,3<I>S</I>,4<I>R</I>,5<I>S</I>,6<I>R</I>)-2-carboxy-6-[(2<I>S</I>,3<I>S</I>,4<I>R</I>,5<I>S</I>,6<I>R</I>)-2-carboxy-6-[(2<I>S</I>,3<I>S</I>,4<I>R</I>,5<I>S</I>,6<I>R</I>)-2-carboxy-6-[(2<I>S</I>,3<I>S</I>,4<I>R</I>,5<I>S</I>,6<I>R</I>)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

> <PUBCHEM_IUPAC_NAME>
(2S,3S,4S,5S,6R)-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2S,3S,4S,5S,6R)-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-4,5,6-tris(oxidanyl)oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2S,3S,4S,5S,6R)-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-4,5,6-trihydroxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C36H50O37/c37-1-2(38)19(25(50)51)69-32(9(1)45)65-15-4(40)11(47)34(71-21(15)27(54)55)67-17-6(42)13(49)36(73-23(17)29(58)59)68-18-7(43)12(48)35(72-24(18)30(60)61)66-16-5(41)10(46)33(70-22(16)28(56)57)64-14-3(39)8(44)31(62)63-20(14)26(52)53/h1-24,31-49,62H,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)/t1-,2-,3+,4+,5+,6+,7+,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,31+,32+,33+,34+,35+,36+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
SAJWPTZTWGBOFP-RZGQGPSHSA-N

> <PUBCHEM_XLOGP3_AA>
-11.8

> <PUBCHEM_EXACT_MASS>
1074.2030925

> <PUBCHEM_MOLECULAR_FORMULA>
C36H50O37

> <PUBCHEM_MOLECULAR_WEIGHT>
1074.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1(C(C(OC(C1O)OC2C(C(C(OC2C(=O)O)OC3C(C(C(OC3C(=O)O)OC4C(C(C(OC4C(=O)O)OC5C(C(C(OC5C(=O)O)OC6C(C(C(OC6C(=O)O)O)O)O)O)O)O)O)O)O)O)O)C(=O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
[C@@H]1([C@@H]([C@H](O[C@H]([C@H]1O)O[C@H]2[C@@H]([C@@H]([C@@H](O[C@@H]2C(=O)O)O[C@H]3[C@@H]([C@@H]([C@@H](O[C@@H]3C(=O)O)O[C@H]4[C@@H]([C@@H]([C@@H](O[C@@H]4C(=O)O)O[C@H]5[C@@H]([C@@H]([C@@H](O[C@@H]5C(=O)O)O[C@H]6[C@@H]([C@@H]([C@@H](O[C@@H]6C(=O)O)O)O)O)O)O)O)O)O)O)O)O)C(=O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
609

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
1074.2030925

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
73

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
30

> <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>
38  1  6
43  1  6
40  10  5
41  11  6
42  12  6
45  13  5
49  14  6
52  16  5
53  17  5
54  18  6
39  2  5
50  2  5
60  20  5
61  21  6
63  22  6
64  23  5
66  25  5
70  29  5
44  3  5
46  3  5
47  65  5
48  67  6
55  69  6
57  71  5
62  72  5
68  73  6
51  8  6
59  8  6
56  9  6
58  9  6

$$$$
