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   15.2782   -1.7116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002   -8.7803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2403   -0.9085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681  -10.4003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2927   -2.2618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.2103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.9703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.4703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622  -10.4003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3596   -1.6318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -3.5652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -3.5652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.4703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 44110  1  0  0  0  0
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 53 55  1  0  0  0  0
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 68 69  1  0  0  0  0
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 68153  1  0  0  0  0
 69154  1  0  0  0  0
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 70155  1  0  0  0  0
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 72158  1  0  0  0  0
 72159  1  0  0  0  0
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 75164  1  0  0  0  0
 76165  1  0  0  0  0
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 77166  1  0  0  0  0
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 81171  1  0  0  0  0
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 82172  1  0  0  0  0
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 84177  1  0  0  0  0
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 86180  1  0  0  0  0
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 87182  1  0  0  0  0
 88 92  1  0  0  0  0
 88184  1  0  0  0  0
 89 91  1  0  0  0  0
 89 95  1  1  0  0  0
 89185  1  0  0  0  0
 90 92  1  0  0  0  0
 90 96  1  1  0  0  0
 90186  1  0  0  0  0
 91187  1  0  0  0  0
 92188  1  0  0  0  0
 93 94  1  0  0  0  0
 93189  1  0  0  0  0
 94 97  1  0  0  0  0
 94193  1  0  0  0  0
 95194  1  0  0  0  0
 95195  1  0  0  0  0
 96196  1  0  0  0  0
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 97201  1  0  0  0  0
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 98203  1  0  0  0  0
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100208  1  0  0  0  0
100209  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
101552120

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
2690

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
34

> <PUBCHEM_CACTVS_HBOND_DONOR>
22

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
23

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB8PgAAAAAAAAAAAAAAAAAAAYAAAAA0aJEiQAAAAGCAAAAAGgAACAAAD1SwgAMCCAAABgCAAiBCAAAAAAAgAAAACAAAAAgREAIAAQAiQAAFwAAPAAPA4PwPgAAAAAAAAADAAAYAADAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9R,10R,11R,13R,14S,17R)-17-[(1R,4R)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-5-hydroxy-1,5-dimethyl-hexyl]-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

> <PUBCHEM_IUPAC_CAS_NAME>
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9R,10R,11R,13R,14S,17R)-17-[(2R,5R)-5-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-6-hydroxy-6-methylheptan-2-yl]-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4-dihydroxy-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>R</I>,3<I>R</I>,4<I>S</I>,5<I>S</I>,6<I>R</I>)-2-[[(2<I>R</I>,3<I>S</I>,4<I>S</I>,5<I>R</I>,6<I>R</I>)-6-[[(3<I>S</I>,8<I>S</I>,9<I>R</I>,10<I>R</I>,11<I>R</I>,13<I>R</I>,14<I>S</I>,17<I>R</I>)-17-[(2<I>R</I>,5<I>R</I>)-5-[(2<I>S</I>,3<I>R</I>,4<I>S</I>,5<I>S</I>,6<I>R</I>)-4,5-dihydroxy-3-[(2<I>S</I>,3<I>R</I>,4<I>S</I>,5<I>S</I>,6<I>R</I>)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2<I>S</I>,3<I>R</I>,4<I>S</I>,5<I>S</I>,6<I>R</I>)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1<I>H</I>-cyclopenta[a]phenanthren-3-yl]oxy]-3,4-dihydroxy-5-[(2<I>S</I>,3<I>R</I>,4<I>S</I>,5<I>S</I>,6<I>R</I>)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_NAME>
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9R,10R,11R,13R,14S,17R)-17-[(2R,5R)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[[(3S,8S,9R,10R,11R,13R,14S,17R)-17-[(2R,5R)-5-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-6-oxidanyl-heptan-2-yl]-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4-bis(oxidanyl)oxan-2-yl]methoxy]oxane-3,4,5-triol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9R,10R,11R,13R,14S,17R)-17-[(1R,4R)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-5-hydroxy-1,5-dimethyl-hexyl]-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methoxy]-6-methylol-tetrahydropyran-3,4,5-triol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C66H112O34/c1-24(9-13-37(63(4,5)88)98-61-55(100-59-53(87)47(81)41(75)31(21-70)94-59)49(83)43(77)33(96-61)23-90-57-51(85)45(79)39(73)29(19-68)92-57)25-15-16-64(6)34-12-10-26-27(66(34,8)35(71)17-65(25,64)7)11-14-36(62(26,2)3)97-60-54(99-58-52(86)46(80)40(74)30(20-69)93-58)48(82)42(76)32(95-60)22-89-56-50(84)44(78)38(72)28(18-67)91-56/h10,24-25,27-61,67-88H,9,11-23H2,1-8H3/t24-,25-,27-,28-,29-,30-,31-,32-,33-,34+,35-,36+,37-,38-,39-,40-,41-,42-,43-,44+,45+,46+,47+,48+,49+,50-,51-,52-,53-,54-,55-,56-,57-,58+,59+,60+,61+,64+,65-,66+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
LTDANPHZAHSOBN-ISABJOOBSA-N

> <PUBCHEM_XLOGP3_AA>
-5.3

> <PUBCHEM_EXACT_MASS>
1448.7035006

> <PUBCHEM_MOLECULAR_FORMULA>
C66H112O34

> <PUBCHEM_MOLECULAR_WEIGHT>
1449.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(CCC(C(C)(C)O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)O)C4CCC5(C4(CC(C6(C5CC=C7C6CCC(C7(C)C)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)C)O)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@H](CC[C@H](C(C)(C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)[C@H]4CC[C@@]5([C@@]4(C[C@H]([C@@]6([C@H]5CC=C7[C@H]6CC[C@@H](C7(C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)O)C)C

> <PUBCHEM_CACTVS_TPSA>
556

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
1448.7035006

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
100

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
40

> <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>
42  1  6
71  10  6
82  10  5
83  11  5
74  13  5
76  14  6
77  15  6
93  16  6
78  17  5
55  2  5
62  2  5
81  20  6
84  21  6
85  22  6
87  24  5
88  25  5
91  27  6
92  28  6
94  29  5
61  3  6
70  3  5
97  32  6
99  33  5
35  46  6
36  47  5
37  101  5
38  50  5
39  102  6
43  108  6
48  57  5
64  6  6
73  6  5
68  72  5
65  7  5
75  79  5
80  86  5
89  95  5
69  9  6
90  96  5
98  100  6

$$$$
