3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid, Protocatechuic acid 4-O-beta-glucoside
HIT218832765
sdf文件结构编辑类似物检索
HIT ID: HIT218832765
Cas No:
分子式: C13H16O9
分子量: 316.262
常用名: 3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid, Protocatechuic acid 4-O-beta-glucoside
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid
SMILES: OCC1OC(Oc2ccc(cc2O)C(O)=O)C(O)C(O)C1O
InChI key: HFFREILXLCWCQH-UHFFFAOYSA-N
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