Scrophenoside A
HIT219229033
sdf文件结构编辑类似物检索
HIT ID: HIT219229033
Cas No: 705931-84-6
分子式: C29H36O16
分子量: 640.591
常用名: Scrophenoside A
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: [(2R,3S,4S,5R,6S)-6-(4-acetyl-2-methoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-methoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate
IUPAC: [(2R,3S,4S,5R,6S)-6-(4-acetyl-2-methoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-methoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate
SMILES: COc1cc(ccc1O[C@@H]1O[C@H](COC(=O)c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)[C@@H](O)[C@H](O)[C@H]1O)C(C)=O
SMILES: COc1cc(ccc1O[C@@H]1O[C@H](COC(=O)c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)[C@@H](O)[C@H](O)[C@H]1O)C(C)=O
InChI key: AAKVKOWIIRSSNX-SOVXHDQISA-N
共显示1个结果
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SC
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