Goyaglycoside d
HIT214317238
sdf文件结构编辑类似物检索
HIT ID: HIT214317238
Cas No: 333332-50-6
分子式: C38H62O9
分子量: 662.905
常用名: Goyaglycoside d
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-{[(1R,4S,5S,8R,9R,12S,13S,16S,19R)-19-methoxy-8-[(2R,4E)-6-methoxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.0^{1,13}.0^{4,12}.0^{5,9}]nonadec-2-en-16-yl]oxy}oxane-3,4,5-triol
IUPAC: (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-{[(1R,4S,5S,8R,9R,12S,13S,16S,19R)-19-methoxy-8-[(2R,4E)-6-methoxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.0^{1,13}.0^{4,12}.0^{5,9}]nonadec-2-en-16-yl]oxy}oxane-3,4,5-triol
SMILES: [H][C@@]1(CC[C@@]2(C)[C@]3([H])C=C[C@@]45O[C@@H](OC)[C@]3(CC[C@]12C)[C@]4([H])CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C5(C)C)[C@H](C)C\C=C\C(C)(C)OC |c:8,THB:13:12:20:9.8.6|
SMILES: [H][C@@]1(CC[C@@]2(C)[C@]3([H])C=C[C@@]45O[C@@H](OC)[C@]3(CC[C@]12C)[C@]4([H])CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C5(C)C)[C@H](C)C\C=C\C(C)(C)OC |c:8,THB:13:12:20:9.8.6|
InChI key: JYKQEJLWLRMCRC-MOHYVYPLSA-N
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