Quercetin 3-O-(6''-O-galloyl)-β-D-glucoside
HIT212665846
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HIT ID: HIT212665846
Cas No: 56316-75-7
分子式: C28H24O16
分子量: 616.484
常用名: Quercetin 3-O-(6''-O-galloyl)-β-D-glucoside
常用名: Quercetin 3-O-(6''-O-galloyl)-β-D-glucoside
氢键受体数 (HBA): 15
氢键供体数 (HBD): 10
LogP: 1.4397686
IUPAC: [(2R,3S,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
IUPAC: [(2R,3S,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
SMILES: O[C@@H]1[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O
SMILES: O[C@@H]1[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O
InChI key: FMQQLXJREAGPHS-OAYLZIFXSA-N
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