Cyclodextrins (CDs) and Non-Glucose Cyclooligosaccharides: Cyclomannins (CMs), Cycloaltrins (CAs), and Cyclogalactins (CGs)
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.
F. W. Lichtenthaler and S. Immel, Tetrahedron: Asymmetry1994, 5, 2045-2060. Abstract
Computer-aided generation of the 3d-geometries and the contact surfaces for
the cyclodextrins and cyclooligosaccharides composed of mannose, altrose, and
galactose provides a lucid picture on their molecular
architecture, most notably their cavity dimensions. The MOLCAD
program mediated computation of the
molecular lipophilicity patterns (MLPs), projected in color-coded form onto
the respective contact surfaces allow for the first time a
detailed localization of hydrophobic and hydrophilic domains, which determine
to a substantial degree the capabilities of these cyclooligosaccharides for
inclusion complex formation.
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