Conformations of (1----4)-linked alpha-D-galacturono-di- and -tri-saccharides in solution analysed by n.m.r. measurements and theoretical calculations

Carbohydr Res. 1991 Nov 11;220:23-31. doi: 10.1016/0008-6215(91)80003-6.


The conformations of the (1----4)-linked alpha-D-galacturono-di- (1) and -tri-saccharide (2) in aqueous solutions have been analysed by n.m.r. spectroscopy and MM2CARB calculations. The 3JC.H. and n.O.e. values did not change with temperature and were comparable for 1 and 2. Four energy regions were found on the relaxed (phi, psi) map for 1 computed by the MM2CARB method. Theoretical n.O.e. values, based on the geometry and the abundance of the most populated conformer, accorded with experimental values. The magnitudes of phi H and psi H for the glycosidic bond suggest that a right-handed three-fold helical arrangement can be formed by pectic acid oligosaccharides in solution.

MeSH terms

  • Carbohydrate Sequence
  • Disaccharides / chemistry*
  • Hexuronic Acids / chemistry*
  • Magnetic Resonance Spectroscopy
  • Mathematical Computing
  • Models, Chemical
  • Molecular Sequence Data
  • Solutions / chemistry
  • Trisaccharides / chemistry*


  • Disaccharides
  • Hexuronic Acids
  • Solutions
  • Trisaccharides
  • galacturonic acid