Comparison of calculated versus measured partition coefficients of some phenyl beta-D-glucopyranosides.
Experimentally determined octanol-water partition coefficient values of substituted phenyl beta-D-glucopyranosides are compared with the calculated values using the computer program CLOGP. The systematic deviation of the calculated values from the measured ones in this series suggests that caution is required when calculations are performed on classes of compounds where many of the partition coefficients have not been experimentally determined.
D005960:Glucosides / Q000032:analysis*; D006027:Glycosides / Q000032:analysis*; D007536:Isomerism; D000442:Octanols; D012995:Solubility; D014867:Water
D005960:Glucosides; D006027:Glycosides; D000442:Octanols; D014867:Water