Silvestrol
HIT212673310
sdf文件结构编辑类似物检索
HIT ID: HIT212673310
Cas No: 697235-38-4
分子式: C34H38O13
分子量: 654.665
常用名: Silvestrol
氢键受体数 (HBA): 12
氢键供体数 (HBD): 4
LogP: 1.9726509
IUPAC: methyl (2S,3R,4R,5S,6R)-10-{[(2S,3R,6R)-6-[(1R)-1,2-dihydroxyethyl]-3-methoxy-1,4-dioxan-2-yl]oxy}-2,3-dihydroxy-12-methoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxatricyclo[6.4.0.0^{2,6}]dodeca-1(12),8,10-triene-4-carboxylate
IUPAC: methyl (2S,3R,4R,5S,6R)-10-{[(2S,3R,6R)-6-[(1R)-1,2-dihydroxyethyl]-3-methoxy-1,4-dioxan-2-yl]oxy}-2,3-dihydroxy-12-methoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxatricyclo[6.4.0.0^{2,6}]dodeca-1(12),8,10-triene-4-carboxylate
SMILES: CO[C@@H]1OC[C@@H](O[C@H]1Oc1cc2O[C@]3([C@@H]([C@H]([C@@H](O)[C@@]3(O)c2c(OC)c1)C(=O)OC)c1ccccc1)c1ccc(OC)cc1)[C@H](O)CO
SMILES: CO[C@@H]1OC[C@@H](O[C@H]1Oc1cc2O[C@]3([C@@H]([C@H]([C@@H](O)[C@@]3(O)c2c(OC)c1)C(=O)OC)c1ccccc1)c1ccc(OC)cc1)[C@H](O)CO
InChI key: GVKXFVCXBFGBCD-QKDMMWSPSA-N
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