Swertiajaponin
HIT212661429
sdf文件结构编辑类似物检索
HIT ID: HIT212661429
Cas No: 6980-25-2
分子式: C22H22O11
分子量: 462.407
常用名: Swertiajaponin
氢键受体数 (HBA): 11
氢键供体数 (HBD): 7
LogP: -0.20830303
IUPAC: 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
IUPAC: 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
SMILES: COc1cc2oc(cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)-c1ccc(O)c(O)c1
SMILES: COc1cc2oc(cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)-c1ccc(O)c(O)c1
InChI key: DLVLXOYLQKCAME-DGHBBABESA-N
共显示2个结果
供应商规格单价货期纯度操作
TargetMol
SC
3971-3天 购物车
Mcule
SC
13794-5周 购物车
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