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

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.

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

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