3-(beta-D-Glucopyranosyloxy)-2-hydroxybenzoic acid methyl ester
HIT212525373
sdf文件结构编辑类似物检索
HIT ID: HIT212525373
Cas No: 53827-68-2
分子式: C14H18O9
分子量: 330.289
常用名: 3-(beta-D-Glucopyranosyloxy)-2-hydroxybenzoic acid methyl ester
常用名: 3-(beta-D-Glucopyranosyloxy)-2-hydroxybenzoic acid methyl ester
氢键受体数 (HBA): 8
氢键供体数 (HBD): 5
LogP: -0.248
IUPAC: methyl 2-hydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate
IUPAC: methyl 2-hydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate
SMILES: COC(=O)c1cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
SMILES: COC(=O)c1cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
InChI key: VSTYNZNDJYVPKL-RRZLQCMWSA-N
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