HIT ID: HIT218832963

Cas No:

分子式: C20H19ClO10

分子量: 454.81

常用名: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-1lambda4-chromen-1-ylium chloride, Cyanidin 3-xyloside

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-1lambda4-chromen-1-ylium chloride

SMILES: [Cl-].O[C@@H]1COC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O

InChI key: ORTBMTXABUAMJS-LSIKGPDISA-N