5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one, Scoparin
HIT218679520
sdf文件结构编辑类似物检索
HIT ID: HIT218679520
Cas No:
分子式: C22H22O11
分子量: 462.407
常用名: 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one, Scoparin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
SMILES: COc1cc(ccc1O)-c1cc(=O)c2c(O)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1
InChI key: YXHFXGHAELQJGK-UHFFFAOYSA-N
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