T-1095A
HIT212713763
sdf文件结构编辑类似物检索
HIT ID: HIT212713763
Cas No: 209746-56-5
分子式: C24H26O9
分子量: 458.463
常用名: T-1095A
氢键受体数 (HBA): 8
氢键供体数 (HBD): 5
LogP: 2.2571478
IUPAC: 3-(1-benzofuran-5-yl)-1-(2-hydroxy-4-methyl-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propan-1-one
IUPAC: 3-(1-benzofuran-5-yl)-1-(2-hydroxy-4-methyl-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propan-1-one
SMILES: Cc1cc(O)c(C(=O)CCc2ccc3occc3c2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
SMILES: Cc1cc(O)c(C(=O)CCc2ccc3occc3c2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
InChI key: GMYFQAHYWIYNES-PFKOEMKTSA-N
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