A preliminary study of the quantitative structure-retention relationship of ginsenosides in normal phase thin-layer chromatography.
The TLC retention of ten ginsenosides has been determined on silica gel layers developed with chloroform-ethyl acetate-methanol-water (15:40:22:10, V/V) as the mobile phase. For the quantitative structure-retention relationship (QSRR) study seventeen structure parameters of the ten ginsenosides were calculated, including topologic indices and physicochemical properties. Particularly, a novel parameter "E" was presented according to the differences of the parent substances of which the ginsenosides are composed. Of these parameters, Aw, 0B and E were selected by optimization and employed in the derived multi-parameter regression equation. The relationships between the retention and the molecular structures have been discussed.
Zhou
X
X
Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116012, China.
Lin
L M
LM
Zhang
J
J
Chen
J P
JP
Wang
L X
LX
D055598:Chemical Phenomena; D002627:Chemistry, Physical; D002855:Chromatography, Thin Layer / Q000379:methods*; D036145:Ginsenosides / Q000032:analysis / Q000737:chemistry*; D015394:Molecular Structure; D016571:Neural Networks, Computer; D021281:Quantitative Structure-Activity Relationship
D036145:Ginsenosides