Compound 0080-0014
HIT106520115
sdf文件结构编辑类似物检索
HIT ID: HIT106520115
Cas No: 480-36-4
分子式: C28H32O14
分子量: 592.55
常用名: Compound 0080-0014
氢键受体数 (HBA): 15
氢键供体数 (HBD): 7
LogP: 0.5261
IUPAC: 5-hydroxy-2-(4-methoxyphenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-one
IUPAC: 5-hydroxy-2-(4-methoxyphenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-one
SMILES: COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)cc2o1
SMILES: COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)cc2o1
InChI key: YFVGIJBUXMQFOF-UHFFFAOYSA-N
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