X-ray crystal structure of iridoid glucoside aucubin and its aglycone

作者:Li, Yang; Zhao, Ye; Zhang, Yong-min; Wang, Min-juan; Sun, Wen-ji*
来源:Carbohydrate Research, 2009, 344(16): 2270-2273.
DOI:10.1016/j.carres.2009.08.021

摘要

X-ray diffraction analyses of iridoid glycoside aucubin (1) and its aglycone aucubigenin (2) are reported. it was found that crystals of 1 are orthorhombic, with P2(1)2(1)2(1) space group, both cyclopentane ring and pyran ring adopt envelope conformations, and the Glc moiety is in the C-4(1), conformation. Crystals of 2 are monoclinic, with space group P2(1), the cyclopentane and pyran rings also adopt the envelope conformation. The absolute configurations of 1 and 2 were also determined. Intensive O-H center dot center dot center dot O hydrogen bonds in both crystal lattices were observed.