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 42 52  1  0  0  0  0
 42 90  1  0  0  0  0
 43 47  1  0  0  0  0
 43 54  1  0  0  0  0
 43 91  1  0  0  0  0
 44 53  1  0  0  0  0
 44 58  1  0  0  0  0
 44 92  1  0  0  0  0
 45 51  1  0  0  0  0
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 46 55  1  0  0  0  0
 46 62  1  0  0  0  0
 46 94  1  0  0  0  0
 47 49  1  0  0  0  0
 47 95  1  0  0  0  0
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 48 96  1  0  0  0  0
 49 97  1  0  0  0  0
 50 51  1  0  0  0  0
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 51 99  1  0  0  0  0
 52 72  1  0  0  0  0
 52100  1  0  0  0  0
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 53101  1  0  0  0  0
 54 73  1  0  0  0  0
 54102  1  0  0  0  0
 55 57  1  0  0  0  0
 55103  1  0  0  0  0
 56 57  1  0  0  0  0
 56104  1  0  0  0  0
 57105  1  0  0  0  0
 58 75  1  0  0  0  0
 58106  1  0  0  0  0
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 59107  1  0  0  0  0
 60 63  1  0  0  0  0
 60 66  1  0  0  0  0
 60108  1  0  0  0  0
 61109  1  0  0  0  0
 62 76  1  0  0  0  0
 62110  1  0  0  0  0
 63 69  1  0  0  0  0
 63111  1  0  0  0  0
 64 67  1  0  0  0  0
 64112  1  0  0  0  0
 65 68  1  0  0  0  0
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 66114  1  0  0  0  0
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 67115  1  0  0  0  0
 68116  1  0  0  0  0
 69 71  1  0  0  0  0
 69117  1  0  0  0  0
 70 82  1  0  0  0  0
 70118  1  0  0  0  0
 71119  1  0  0  0  0
 72120  1  0  0  0  0
 72121  1  0  0  0  0
 73122  1  0  0  0  0
 73123  1  0  0  0  0
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 89158  1  0  0  0  0
 89159  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71749892

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
2140

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
41

> <PUBCHEM_CACTVS_HBOND_DONOR>
26

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
22

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB8PgAAAAAAAAAAAAAAAAAAAAAAAAAkSJEiQAAAAAAAAAAAGgAACAAACBSwgAMACAAABgAAAAAAAAAAAAAAAAAAAAAAAAAREAIAAAAiQAAFAAAHAAHAYAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
(2R,4S,5S)-2-[[(3S,4R,6R)-6-[[(3S,4R,6R)-6-[[(3S,4R,6R)-6-[[(3S,4R,6R)-6-[[(3S,4R,6R)-6-[[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[4,5,6-trihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-3-oxanyl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>R</I>,4<I>S</I>,5<I>S</I>)-2-[(3<I>S</I>,4<I>R</I>,6<I>R</I>)-6-[(3<I>S</I>,4<I>R</I>,6<I>R</I>)-6-[(3<I>S</I>,4<I>R</I>,6<I>R</I>)-6-[(3<I>S</I>,4<I>R</I>,6<I>R</I>)-6-[(3<I>S</I>,4<I>R</I>,6<I>R</I>)-6-[(3<I>S</I>,4<I>R</I>,6<I>R</I>)-4,5-dihydroxy-2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_NAME>
(2R,4S,5S)-2-[(3S,4R,6R)-6-[(3S,4R,6R)-6-[(3S,4R,6R)-6-[(3S,4R,6R)-6-[(3S,4R,6R)-6-[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3S,4S,6R)-2-(hydroxymethyl)-6-[(3S,4R,6R)-2-(hydroxymethyl)-6-[(3S,4R,6R)-2-(hydroxymethyl)-6-[(3S,4R,6R)-2-(hydroxymethyl)-6-[(3S,4R,6R)-2-(hydroxymethyl)-6-[(3S,4R,6R)-2-(hydroxymethyl)-6-[(3S,4R,6R)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)-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-4,5-bis(oxidanyl)oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C48H82O41/c49-1-9-17(57)18(58)27(67)42(76-9)84-35-11(3-51)78-44(29(69)20(35)60)86-37-13(5-53)80-46(31(71)22(37)62)88-39-15(7-55)82-48(33(73)24(39)64)89-40-16(8-56)81-47(32(72)25(40)65)87-38-14(6-54)79-45(30(70)23(38)63)85-36-12(4-52)77-43(28(68)21(36)61)83-34-10(2-50)75-41(74)26(66)19(34)59/h9-74H,1-8H2/t9?,10?,11?,12?,13?,14?,15?,16?,17-,18+,19?,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-,46-,47-,48-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
RUJILUJOOCOSRO-DWOZXDTNSA-N

> <PUBCHEM_XLOGP3_AA>
-17.6

> <PUBCHEM_EXACT_MASS>
1314.4331520

> <PUBCHEM_MOLECULAR_FORMULA>
C48H82O41

> <PUBCHEM_MOLECULAR_WEIGHT>
1315.1

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)O)CO)CO)CO)CO)CO)CO)CO)O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(C1[C@H]([C@@H](C([C@H](O1)O[C@H]2[C@@H](C([C@H](OC2CO)O[C@H]3[C@@H](C([C@H](OC3CO)O[C@H]4[C@@H](C([C@H](OC4CO)O[C@H]5[C@@H](C([C@H](OC5CO)O[C@H]6[C@@H](C([C@H](OC6CO)O[C@H]7[C@@H](C([C@H](OC7CO)OC8C(OC(C(C8O)O)O)CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
664

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
1314.4331520

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
89

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
21

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
19

> <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>
42  1  6
48  1  5
65  12  6
77  12  6
71  13  5
74  13  3
45  14  5
47  15  6
49  16  3
51  17  3
53  18  5
55  19  6
44  2  6
50  2  6
57  20  3
59  21  3
63  22  6
67  24  3
68  25  5
69  26  3
43  3  5
56  3  5
78  32  3
81  34  3
83  36  5
84  37  3
85  38  6
87  39  3
52  72  3
54  73  3
58  75  3
62  76  3
66  79  3
70  82  3
46  8  5
64  8  6
80  88  3
86  89  3
60  9  5
61  9  6

$$$$
