Determination of the three-dimensional structure of Gynoside A in solution using NMR and molecular modeling.
Molecules
; 12(4): 907-16, 2007 Apr 30.
Article
em En
| MEDLINE
| ID: mdl-17851443
ABSTRACT
The three-dimensional structure of Gynoside A, an ocotillone-type triterpenoid glycoside isolated from Gynostemma pentaphyllum, was determined in pyridine-d5 and DMSO-d6 solution through constrained molecular modeling using constraints derived from proton NMR spectra. The calculation yielded well-defined global minima. Except for some quantitative details the overall structure of Gynoside A in pyridine-d5 shared many common features with that in DMSO-d6. The structure in pyridine-d5 had lower energies than that in DMSO-d6 solution.
Texto completo:
1
Base de dados:
MEDLINE
Assunto principal:
Saponinas
/
Espectroscopia de Ressonância Magnética
Idioma:
En
Revista:
Molecules
Ano de publicação:
2007
Tipo de documento:
Article