7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})chromen-4-one, Isorhamnetin 3,5-O-diglucoside
HIT218679487
sdf文件结构编辑类似物检索
HIT ID: HIT218679487
Cas No:
分子式: C28H32O17
分子量: 640.547
常用名: 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})chromen-4-one, Isorhamnetin 3,5-O-diglucoside
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4H-chromen-4-one
SMILES: COc1cc(ccc1O)-c1oc2cc(O)cc(OC3OC(CO)C(O)C(O)C3O)c2c(=O)c1OC1OC(CO)C(O)C(O)C1O
InChI key: UJPPWDPXMUEQOD-UHFFFAOYSA-N
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