2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]chromen-4-one, Peltatoside 7-O-beta-glucopyranoside
HIT218832776
sdf文件结构编辑类似物检索
HIT ID: HIT218832776
Cas No:
分子式: C32H38O21
分子量: 758.635
常用名: 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]chromen-4-one, Peltatoside 7-O-beta-glucopyranoside
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-one
SMILES: OCC1OC(Oc2cc(O)c3c(c2)oc(-c2ccc(O)c(O)c2)c(OC2OC(COC4OCC(O)C(O)C4O)C(O)C(O)C2O)c3=O)C(O)C(O)C1O
InChI key: NQKIQFGPJWPYHL-UHFFFAOYSA-N
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