3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-7-methoxy-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-4-one, Rhamnocitrin-3-O-neohesperoside-4'-O-glucoside
HIT218832801
sdf文件结构编辑类似物检索
HIT ID: HIT218832801
Cas No:
分子式: C34H42O20
分子量: 770.69
常用名: 3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-7-methoxy-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-4-one, Rhamnocitrin-3-O-neohesperoside-4'-O-glucoside
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-7-methoxy-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one
SMILES: COc1cc(O)c2c(c1)oc(-c1ccc(OC3OC(CO)C(O)C(O)C3O)cc1)c(OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)c2=O
InChI key: COQHRDFLJUXFJY-UHFFFAOYSA-N
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