The structure and conformation of saccharides determined by experiment and simulation

Literature

A 1H NMR database computer program for the analysis of the primary structure of complex carbohydrates.

van Kuik JA, Hård K, Vliegenthart JF
Carbohydr Res 235 (1992) 53-68
PubMed 1473112

Abstract

A 1H NMR database computer program has been developed to determine the primary structure of complex carbohydrates. The database contains carbohydrate structures, their corresponding 1H NMR data, and literature references. From an input list of chemical shift values, the program generates an output list of partially or completely matching carbohydrate structures. In order to facilitate the recognition of the matching part of the selected carbohydrate structures, these structures are displayed with the matching structural elements highlighted. This new 1H NMR database, together with the search program described, now provides a fast access to the published 1H NMR data of complex carbohydrates and furnishes easy links to carbohydrate structures. The performance of the program is demonstrated by the analysis of five carbohydrate fractions prepared from a pool of horse serum glycoproteins.