Formononetin, 7-O-[?-D-Apiofuranosyl-(1?6)-?-D-glu
HIT104488916
sdf文件结构编辑类似物检索
HIT ID: HIT104488916
Cas No: 857677-78-2
分子式: C27H30O13
分子量: 562.524
常用名: Formononetin, 7-O-[?-D-Apiofuranosyl-(1?6)-?-D-glu
常用名: Formononetin, 7-O-[?-D-Apiofuranosyl-(1?6)-?-D-glu
氢键受体数 (HBA): 13
氢键供体数 (HBD): 6
LogP: -0.668
IUPAC: 7-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-(4-methoxyphenyl)-4H-chromen-4-one
IUPAC: 7-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-(4-methoxyphenyl)-4H-chromen-4-one
SMILES: COc1ccc(cc1)-c1coc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1=O
SMILES: COc1ccc(cc1)-c1coc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1=O
InChI key: PJHJORWYAZKNAL-MFYRMPRMSA-N
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3900 购物车
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