COMPUTER-ASSISTED STRUCTURAL-ANALYSIS OF OLIGOSACCHARIDES AND POLYSACCHARIDES - AN EXTENSION OF CASPER TO MULTIBRANCHED STRUCTURES

The GASPER program which is used for determination of the primary stru cture of oligo- and polysaccharides has been extended. It can now hand le a reduced number of experimental signals from an NMR spectrum in th e comparison to the simulated spectra of structures that it generates, an improvement which is of practical importance since all signals in NMR spectra cannot always be identified. Furthermore, the program has been enhanced to simulate NMR spectra of multibranched oligo- and poly saccharides, The new developments were tested on four saccharides of k nown structure but of different complexity and were shown to predict t he correct structures. (C) 1998 Elsevier Science Led. All rights reser ved.