The X-ray structures of 2,6-dimethylphenyl and phenyl 2,3,4,6-tetra-O-acetyl β-glucosides (1 and 3) and phenyl α-mannoside (6) were obtained. The independent part of the unit cell of the glycosides 1 and 6 was formed by one molecule, and for the glucoside 3, two molecules in the crystal cell were observed. In deacetylated glycosides 4 and 6 the crystal structure was established by a hydrogen bond network formed between the sugar hydroxyls and solvent molecules. The ¹³C CPMAS NMR spectra of aryl glycosides 1-6 were analysed. In the spectrum of 3, doubling of the C4 aryl signal was observed which confirmed the presence of two independent molecules in the solid sample. The GAAGS (Genetic Algorithm-Assisted Grid Search) method was used to determine the low-energy conformers of α-mannosides and β-glucosides. The orientation of the aryl pendant group was calculated using Molecular Mechanics (MMFF94) as well as Quantum Mechanics theory (DFT, B3LYP/6-31+ G(d,p)).

获得了2,6-二甲基苯基和苯基2,3,4,6-四-O-乙酰基β-葡萄糖苷（1和3）和苯基α-甘露糖苷（6）的X射线结构。糖苷1和6的晶胞的独立部分由一个分子形成，对于糖苷3，在晶胞中观察到两个分子。在去乙酰化的糖苷4和6中，晶体结构是由糖羟基和溶剂分子之间形成的氢键网络建立的。在¹³芳基糖苷的ÇCPMAS NMR谱1 - 6被分析。在3的光谱中，观察到C4芳基信号加倍，这证实了固体样品中存在两个独立的分子。GAAGS（遗传算法辅助网格搜索）方法用于确定α-甘露糖苷和β-葡萄糖苷的低能构象体。使用分子力学（MMFF94）和量子力学理论（DFT，B3LYP / 6-31 + G（d，p））计算芳基侧基的取向。