Andrographidine E
HIT214311629
sdf文件结构编辑类似物检索
HIT ID: HIT214311629
Cas No: 113963-41-0
分子式: C24H26O11
分子量: 490.461
常用名: Andrographidine E
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 7,8-dimethoxy-2-(2-methoxyphenyl)-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
IUPAC: 7,8-dimethoxy-2-(2-methoxyphenyl)-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
SMILES: COc1ccccc1-c1cc(=O)c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(OC)c(OC)c2o1
SMILES: COc1ccccc1-c1cc(=O)c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(OC)c(OC)c2o1
InChI key: KJWPVIVMWLREST-UKMCQSRUSA-N
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