Figure 3. Geometry optimized 3D structures of compounds isolated from D. edulis, used to compute molecular descriptors.

Carbon atoms are shown in green (DES1 & DES2) and cyan (DES3, DES4 & DES5), while oxygen atoms are shown in red. Hydrogen atoms are left out of the picture for the sake of clarity. The molecular models have been designed using the PyMOL software [47].