Wenchuanensin
HIT212524934
sdf文件结构编辑类似物检索
HIT ID: HIT212524934
Cas No: 155961-85-6
分子式: C27H32O12
分子量: 548.541
常用名: Wenchuanensin
氢键受体数 (HBA): 11
氢键供体数 (HBD): 4
LogP: 0.951
IUPAC: (3R,4R)-4-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(3,4-dimethoxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]oxolan-2-one
IUPAC: (3R,4R)-4-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(3,4-dimethoxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]oxolan-2-one
SMILES: COc1cc(C[C@@H]2[C@@H](Cc3ccc4OCOc4c3)COC2=O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1OC
SMILES: COc1cc(C[C@@H]2[C@@H](Cc3ccc4OCOc4c3)COC2=O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1OC
InChI key: IHHVVZIYYNPSLX-WROWPOPMSA-N
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