5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-4-one, Tectorigenin 7-O-gentiobioside
HIT218832754
sdf文件结构编辑类似物检索
HIT ID: HIT218832754
Cas No:
分子式: C28H32O16
分子量: 624.548
常用名: 5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-4-one, Tectorigenin 7-O-gentiobioside
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one
SMILES: COc1c(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O
InChI key: DEAGIDFEDRILTP-UHFFFAOYSA-N
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