Residual dipolar couplings as new conformational restraints in isotropically 13C-enriched oligosaccharides

We report the measurement of residual dipolar couplings for l3C-enriched NeuNAcalpha2-3Galbeta1-4Glc in a dilute liquid-crystalline medium. These couplings provide long-range conformational restraints that hitherto have not been available for oligosaccharides. We utilise these restraints in dynamical simulated annealing calculations, which support current models of the solution behaviour of the trisaccharide.