Naslov
Quantitative Modeling of Flavonoid Glycosides Isolated from Paliurus spina-christi Mill.

Autori
Medić-Šarić, Marica ; Maleš, Željan ; Šarić, Slavko ; Brantner, Adelheid

Izvornik
Croatica chemica acta (0011-1643) 69 (1996), 4; 1603-1616

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
Flavonoid Glycosides; Paliurus spina-christi Mill.; QSPR; Partition Coefficient; Log P; Van der Waals Volume; Topological Indices; Wiener Index; Valence Connectivity Index; Balaban Index; Information-theoretic Index

Sažetak
Several QSPR models for predicting the properties of flavonoid glycosides isolated from Paliurus spina-christi Mill. and of some related flavonoids were described and evaluated. Log P values for all of them were calculated according to the method of Rekker. All investigated flavonoids showed expressive hidrophobicity. Significant correlation between the partition coefficient, Log P and van der Waals volume, VW ( calculated according to the method described by Moriguchi et all. ) was obtained. Topological indices used for correlation analysis include the Wiener index, W(G), valence connectivity index, chiV(G), Balaban index, J(G), and information-theoretic index, I(G). The best models were obtained with the valence connecivity index for all the flavonoids studied.

Izvorni jezik
Engleski

Znanstvena područja
Farmacija

POVEZANOST RADA