APPLICATION OF TOPOLOGICAL INDEXES TO CHROMATOGRAPHIC DATA - CALCULATION OF THE RETENTION INDEXES OF ANTHOCYANINS

The HPLC retention times (t(R)) of anthocyanins were calculated using a simple equation of the form t(R) = a[W/(pn(OH))]+b. The Wiener numbe r, W, and polarity number, p, were used as structural descriptors. The other factor that controls the magnitude of the retention times is th e number of OH groups (n(OH)) attached to the flavylium core. The calc ulated t(R) values of several classes of anthocyanins are in excellent agreement with the experimental values.