2-(5-{3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-3-carbonyloxy)-3-(3,4-dihydroxyphenyl)propanoic acid, Schizotenuin A
HIT218832795
sdf文件结构编辑类似物检索
HIT ID: HIT218832795
Cas No:
分子式: C36H28O16
分子量: 716.604
常用名: 2-(5-{3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-3-carbonyloxy)-3-(3,4-dihydroxyphenyl)propanoic acid, Schizotenuin A
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-(5-{3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-3-carbonyloxy)-3-(3,4-dihydroxyphenyl)propanoic acid
SMILES: OC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)C=Cc1cc(O)c2oc(c(C(=O)OC(Cc3ccc(O)c(O)c3)C(O)=O)c2c1)-c1ccc(O)c(O)c1
InChI key: KROVXXIIXUFKOO-UHFFFAOYSA-N
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