红景天苷几种不同构型对其抗氧化活性的影响

The effect of several structures for salidroside on its antioxidation activity

红景天苷是一种主要从高原药用植物红景天和中药女贞子中分离得到的活性化合物,本文在HF/6-31g(d,p)和B3LYP/6-31g(d,p)水平上对红景天苷及其六种衍生物进行了结构优化与性质计算,探讨了红景天苷的几何构型、电荷分布、化学键的Mulliken布居数及影响其抗氧化活性的几种结构因素,结果表明:酚羟基是红景天苷的活性部位;酚羟基的位置变化会影响到红景天苷的抗氧化活性;苯环与糖苷之间的碳链长短则对标题化合物的抗氧化活性基本无影响。

Salidroside is a kind of active compounds extracted mainly from the high officinal plant Rhodiola sachalinensis and Chinese traditional medicine Ligustrum lucidum. In this work, the structures and properties of Salidroside and its six derivatives have been performed at HF/6-31g（d,p） and B3LYP/6- 31g（d,p） level. The geometry, charges, Mulliken population of the bonds and structure-antioxidation relationship were discussed for Salidroside. The results showed that the hydroxy in benzene ring is the active part of Salidroside and the hydroxyl position can affect the antioxidant activity of Salidroside, however, the length of carbochain between the benzene ring and indican, hardly influences the antioxidant activity of the title compound.