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

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