Pantoyllactone glucoside
HIT100387023
sdf文件结构编辑类似物检索
HIT ID: HIT100387023
Cas No: n.g.
分子式: C12H20O8
分子量: 292.284
常用名: Pantoyllactone glucoside
氢键受体数 (HBA): 7
氢键供体数 (HBD): 4
LogP: -1.593
IUPAC: (3R)-4,4-dimethyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-one
IUPAC: (3R)-4,4-dimethyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-one
SMILES: CC1(C)COC(=O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
SMILES: CC1(C)COC(=O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI key: BFCZPWYLRHFBNO-DTJAAUDXSA-N
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