HIT ID: HIT100138394

Cas No: 39012-20-9

分子式: C23H28O13

分子量: 512.464

常用名: Picroside II

氢键受体数 (HBA): 12

氢键供体数 (HBD): 6

LogP: -1.4

IUPAC: (1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0^{2,4}]dec-7-en-5-yl 4-hydroxy-3-methoxybenzoate

SMILES: COc1cc(ccc1O)C(=O)O[C@@H]1[C@@H]2O[C@]2(CO)[C@@H]2[C@H]1C=CO[C@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |c:23|

InChI key: AKNILCMFRRDTEY-NUGKWEEESA-N