Chrysophanein
HIT212665348
sdf文件结构编辑类似物检索
HIT ID: HIT212665348
Cas No: 4839-60-5
分子式: C21H20O9
分子量: 416.382
常用名: Chrysophanein
氢键受体数 (HBA): 9
氢键供体数 (HBD): 5
LogP: 1.2069287
IUPAC: 8-hydroxy-3-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dione
IUPAC: 8-hydroxy-3-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dione
SMILES: Cc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2C(=O)c3c(O)cccc3C(=O)c2c1
SMILES: Cc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2C(=O)c3c(O)cccc3C(=O)c2c1
InChI key: QKPDYSSHOSPOKH-JNHRPPPUSA-N
共显示4个结果
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TargetMol
SC
5481-3天 购物车
AnyMole
SC
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Mcule
SC
9434-5周 购物车
Mcule
SC
16544-5周 购物车
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