8-Epideoxyloganic acid
HIT101083704
sdf文件结构编辑类似物检索
HIT ID: HIT101083704
Cas No: 88668-99-9
分子式: C16H24O9
分子量: 360.359
常用名: 8-Epideoxyloganic acid
氢键受体数 (HBA): 9
氢键供体数 (HBD): 5
LogP: -0.908
IUPAC: (1S,4aS,7R,7aR)-7-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acid
IUPAC: (1S,4aS,7R,7aR)-7-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acid
SMILES: C[C@@H]1CC[C@H]2[C@@H]1[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(O)=O |c:22|
SMILES: C[C@@H]1CC[C@H]2[C@@H]1[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(O)=O |c:22|
InChI key: DSXFHNSGLYXPNG-PKUPRILXSA-N
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TargetMol
SC
7901-3天99.41% 购物车
Analyticon
SC
32893-4周85% 购物车
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