摘要
目的:研究三萜皂苷anemoside A3在溶液中的三维结构。方法:利用NMR结果和分子模拟方法研究了该皂苷在溶液中的构象,测定了anemoside A3的一系列1D和2D核磁共振谱。结果:对该皂苷的质子和碳信号进行了完整归属,计算出1组结构收敛的anemoside A3在溶液中的构象。结论:所得结果可应用于三萜皂苷的构效关系研究。
Aim: To determine the 3D structure of anemoside A3 (3β, 23-dihydroxyl-lup-20(29)-en-28-oic acid-3- O-α- L-rhamnopyranosyl(1→2)-a-L-arabinopyranoside) in the solution. Methods:A series of 1D and 2D NMR spectra of anemoside A3 were recorded. Program Hyperchem 7.0 was used for constrained molecular simulation with constraints derived from NMR data. Results:All the proton and carbon signals were assigned. The calculation yielded a group of well-defined global minimum solution conformations. Conclusion: The results could be used for the study of structureactivity relationships of triterpenoid glycosides.
出处
《中国药科大学学报》
CAS
CSCD
北大核心
2006年第2期123-126,共4页
Journal of China Pharmaceutical University