title: A preliminary study of the quantitative structure-retention relationship of ginsenosides in normal phase thin-layer chromatography.
abstract: 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.
authors.affiliation: Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116012, China.
authors.forename: X
authors.initials: X
authors.lastname: Zhou
authors.forename: L M
authors.initials: LM
authors.lastname: Lin
authors.forename: J
authors.initials: J
authors.lastname: Zhang
authors.forename: J P
authors.initials: JP
authors.lastname: Chen
authors.forename: L X
authors.initials: LX
authors.lastname: Wang
mesh_terms: 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
chemical_list: D036145:Ginsenosides