Abstract The electronic performance between mangiferin and isomangiferin as antioxidants was achieved using electron and hydrogen atom transfer mechanisms at DFT/B3LYP/6-31+G(d,p) level. According to theoretical properties of these molecules a structural and electronic symmetry among 3-hydroxyl of xanthone, 2’-hydroxyl of sugar, and ether moiety of sugar were stablished. The sugar moiety changes on 2 and 4 positions showed that isomangiferin is more potent than mangiferin by electron transfer and mangiferin by hydrogen transfer. Hydrogen bonds between sugar and resorcinol rings can be involved to their electronic behavior and favored conformations of low energies. Sugar moiety in both compounds is responsible for the antioxidant capacity increase in xanthone ring.

中文翻译：

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芒果苷和异芒果苷作为抗氧化剂的不对称性能

摘要 利用电子和氢原子转移机制在 DFT/B3LYP/6-31+G(d,p) 水平上实现了芒果苷和异芒果苷作为抗氧化剂的电子性能。根据这些分子的理论性质，在呫吨酮的 3-羟基、糖的 2'-羟基和糖的醚部分之间建立了结构和电子对称性。2 和 4 位糖基的变化表明，异芒果苷比芒果苷通过电子转移和通过氢转移比芒果苷更有效。糖和间苯二酚环之间的氢键可能与它们的电子行为和低能的有利构象有关。两种化合物中的糖部分是造成氧杂蒽酮环抗氧化能力增加的原因。