2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-3-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one, Quercetagetin 3-methyl ether 7-glucoside
HIT218832781
sdf文件结构编辑类似物检索
HIT ID: HIT218832781
Cas No:
分子式: C22H22O13
分子量: 494.405
常用名: 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-3-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one, Quercetagetin 3-methyl ether 7-glucoside
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-3-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
SMILES: COc1c(oc2cc(OC3OC(CO)C(O)C(O)C3O)c(O)c(O)c2c1=O)-c1ccc(O)c(O)c1
InChI key: ACXKZFDCISQHGW-UHFFFAOYSA-N
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