Theoretical study of glycoside group on antioxidant ability of chrysin

Chrysin (1), Chrysin-6-C-fucopyranoside (2), and Chrysin-3-malonyl-6-Cfucopyranoside(3), bioflavonoids, were selected to study the effect of glycoside group onthe BDE (Bond Dissociation Energy) values and ΔE (ELUMO – EHOMO). Theoreticalcalculation of bond dissociation enthalpy (BDE) and energy gap (ΔE) were carried out inB3LYP/6-311++G** level. Our results indicated that antioxidant ability of flavonoid did notchange in the presence of glycoside group