TUD Organische Chemie

Immel

Publications

Papers

Abstract 06

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Molecular Modeling of Saccharides, Part IV.

Cyclodextrins, Cyclomannins, and Cyclogalactins with five and six (1→4)-linked Sugar Units : a Comparative Assessment of their Conformations and Hydrophobicity Potential Profiles

Frieder W. Lichtenthaler and Stefan Immel

Tetrahedron: Asymmetry 1994, 5, 2045-2060.

A molecular modeling study of the (1→4)-linked cyclooligosaccharides containing five and six α-D-glucose, α-D-mannose, and β-D-galactose units, respectively, provides 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.

Additional Graphics: Cyclodextrin Isomers