Pterosin A-2-O-glucoside
HIT218903991
sdf文件结构编辑类似物检索
HIT ID: HIT218903991
Cas No:
分子式: C21H30O8
分子量: 410.463
常用名: Pterosin A-2-O-glucoside
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-6-(2-hydroxyethyl)-2,5,7-trimethyl-2-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,3-dihydro-1H-inden-1-one
IUPAC: (2S)-6-(2-hydroxyethyl)-2,5,7-trimethyl-2-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,3-dihydro-1H-inden-1-one
SMILES: Cc1cc2C[C@@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)c2c(C)c1CCO
SMILES: Cc1cc2C[C@@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)c2c(C)c1CCO
InChI key: JHDRWTILNYFQAW-HPCBLLCTSA-N
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