EVOLUTION OF THE STRUCTURAL REPRESENTATION OF SUCROSE .1.

Following a historical account on the establishment of the constitutional formula of sucrose and of its conformational features, the present possibilities for interactive graphics display of its molecular geometry, based on X-ray structural data, are given. In addition, the MOLCAD program-computed contact surface is presented as well as - in a 16 color code ranging from violet ro red - the electrostatic potential and, most relevant for structure-sweetness relationship considerations, ist hydrophobicity potential profile on the contact surface. Finally, an attempt is made towards a tentative assessment of the computer-generated distribution of hydrophilic and hydrophobic regions over the surface of the sucrose molecule in terms of the "sweetness triangle" AH-B-X concept. Also given are the graphic displays for the contact surfaces and hydrophobicity profiles of leucrose, isomaltulose and its reduction products alpha-glucosyl-mannitol and -sorbitol.