Determination of the three-dimensional structure of Gynoside A in solution using NMR and molecular modeling.
نویسندگان
چکیده
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.
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ورودعنوان ژورنال:
- Molecules
دوره 12 4 شماره
صفحات -
تاریخ انتشار 2007