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
Fw. Lichtenthaler et S. Immel, 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, Tetrahedron : asymmetry, 5(11), 1994, pp. 2045-2060
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 ove
rall conformations, their contact surfaces, and their cavity proportio
ns. A MOLCAD-based generation of their molecular lipophilicity potenti
al (MLP's) gives a lucid picture of their hydrophobic and hydrophilic
surface areas, and hence, a first estimation of their inclusion proper
ties.