Ajugol
HIT212657885
sdf文件结构编辑类似物检索
HIT ID: HIT212657885
Cas No: 52949-83-4
分子式: C15H24O9
分子量: 348.348
常用名: Ajugol
氢键受体数 (HBA): 9
氢键供体数 (HBD): 6
LogP: -2.8563025
IUPAC: (2S,3R,4S,5S,6R)-2-{[(1S,4aR,5R,7S,7aS)-5,7-dihydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC: (2S,3R,4S,5S,6R)-2-{[(1S,4aR,5R,7S,7aS)-5,7-dihydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES: C[C@]1(O)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12 |c:7|
SMILES: C[C@]1(O)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12 |c:7|
InChI key: VELYAQRXBJLJAK-XKKWFBPMSA-N
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TargetMol
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