Quercetin-3-O-glucose-6''-acetate
HIT102426101
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HIT ID: HIT102426101
Cas No: 54542-51-7
分子式: C23H22O13
分子量: 506.416
常用名: Quercetin-3-O-glucose-6''-acetate
常用名: Quercetin-3-O-glucose-6''-acetate
氢键受体数 (HBA): 12
氢键供体数 (HBD): 7
LogP: 0.2962901
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 acetate
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 acetate
SMILES: CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
SMILES: CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChI key: IGLUNMMNDNWZOA-LNNZMUSMSA-N
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