weak Hepatoprotective agent-1
HIT217583826
sdf文件结构编辑类似物检索
HIT ID: HIT217583826
Cas No: 1807808-90-7
分子式: C27H34O12
分子量: 550.557
常用名: weak Hepatoprotective agent-1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3S,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(R)-hydroxy(3-methoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]oxolan-2-one
IUPAC: (3S,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(R)-hydroxy(3-methoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]oxolan-2-one
SMILES: [H][C@@]1([C@@H](O)c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)[C@@H](Cc2ccc(OC)c(OC)c2)COC1=O
SMILES: [H][C@@]1([C@@H](O)c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)[C@@H](Cc2ccc(OC)c(OC)c2)COC1=O
InChI key: BYTMLMCPEAZVOF-WHIPURTOSA-N
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