Pubeside D
HIT212525797
sdf文件结构编辑类似物检索
HIT ID: HIT212525797
Cas No: 335150-90-8
分子式: C26H42O9
分子量: 498.613
常用名: Pubeside D
氢键受体数 (HBA): 9
氢键供体数 (HBD): 6
LogP: -0.407
IUPAC: (1R,4aS,4bR,7S,10aS)-7-[(1R)-1,2-dihydroxyethyl]-1,4a,7-trimethyl-1-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-3-one
IUPAC: (1R,4aS,4bR,7S,10aS)-7-[(1R)-1,2-dihydroxyethyl]-1,4a,7-trimethyl-1-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-3-one
SMILES: [H][C@@]12CC[C@@](C)(C=C1CC[C@]1([H])[C@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC(=O)C[C@@]21C)[C@@H](O)CO |c:6|
SMILES: [H][C@@]12CC[C@@](C)(C=C1CC[C@]1([H])[C@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC(=O)C[C@@]21C)[C@@H](O)CO |c:6|
InChI key: QYXBVSOUROVSDU-SHNINHJWSA-N
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