TUD Organische ChemieImmelStructuresCHIME - Cyclodextrins Isomers (Informations)View or Print this frame onlyView or Print (this frame only)

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: Asymmetry 1994, 5, 2045-2060.

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[1] 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.

For more informations on other research topics, please refer to the complete list of publications and to the gallery of graphics.


  1. SYBYL-MOLCAD module: (a) J. Brickmann, MOLCAD - MOLecular Computer Aided Design, Technical University of Darmstadt, 1992. The major part of the MOLCAD program is included in the MOLCAD-module of the SYBIL package of TRIPOS Associates, St. Louis, USA. - (b) J. Brickmann and M. Waldherr-Teschner, Labo (Hoppenstedt Verlag, Darmstadt) 1989, 10, 7-14; Informationstechnik (Oldenburg Verlag, München) 1991, 33, 83-90. - (c) J. Brickmann, J. Chim. Phys. 1992, 89, 1709-1721. - (d) M. Waldherr-Teschner, T. Goetze, W. Heiden, M. Knoblauch, H. Vollhardt, and J. Brickmann, in: Advances in Scientific Visualization (Eds.: F. H. Post, A. J. S. Hin), Springer Verlag, Heidelberg, 1992, pp. 58-67. - (e) J. Brickmann, T. Goetze, W. Heiden, G. Moeckel, S. Reiling, H. Vollhardt, and C.-D. Zachmann, Interactive Visualization of Molecular Scenarios with MOLCAD/SYBIL, in: Data Visualization in Molecular Science - Tools for Insight and Innovation (Ed.: J. E. Bowie), Addison-Wesley Publishing Company Inc., Reading, Mass., 1995, pp. 83-97.

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