A preliminary study of the quantitative structure-retention relationship of ginsenosides in normal phase thin-layer...

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.