Three-Dimensional Structure of Fucosyllactoses in an Aqueous Solution

Abstract
1H and 13C NMR spectra of four fucosyllactoses were analyzed and interresidual NOEs were detected in solution. Several interresidual NOE cross peaks between non-direct-bonding pyranoses were obtained in common with trisaccharides including fucose. Three-dimensional (3D) structures of the four saccharides were simulated with DADAS90 software using distance constraints estimated by NOE intensity. Results suggest approximate C2 rotating symmetry in the 3D 3,2'-difucosyllactose structure.