MOLECULAR MODELING OF SACCHARIDES .4. CYCLODEXTRINS, CYCLOMANNINS, AND CYCLOGALACTINS WITH 5 AND 6 (1-]4)-LINKED SUGAR UNITS - A COMPARATIVE-ASSESSMENT OF THEIR CONFORMATIONS AND HYDROPHOBICITY POTENTIAL PROFILES

A molecular modeling study of the (1-->4)-linked cyclooligosaccharides containing five and six alpha-D-glucose, alpha-D-mannose, and beta-D-galactose units, respectively, provide a clear conception of their overall conformations, their contact surfaces, and their cavity proportions. A MOLCAD-based generation of their molecular lipophilicity potential (MLP's) gives a lucid picture of their hydrophobic and hydrophilic surface areas, and hence, a first estimation of their inclusion properties.