title: X-ray crystal structure of iridoid glucoside aucubin and its aglycone.
abstract: 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 (4)C(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 . . . O hydrogen bonds in both crystal lattices were observed.
authors.affiliation: Biomedicine Key Laboratory of Shaanxi Province, Northwest University, Xi'an, Shaanxi 710069, PR China.
authors.forename: Yang
authors.initials: Y
authors.lastname: Li
authors.forename: Ye
authors.initials: Y
authors.lastname: Zhao
authors.forename: Yong-Min
authors.initials: YM
authors.lastname: Zhang
authors.forename: Min-Juan
authors.initials: MJ
authors.lastname: Wang
authors.forename: Wen-Ji
authors.initials: WJ
authors.lastname: Sun
mesh_terms: D018360:Crystallography, X-Ray; D005960:Glucosides / Q000737:chemistry*; D006860:Hydrogen Bonding; D057888:Iridoid Glucosides; D039823:Iridoids / Q000737:chemistry*; D011714:Pyrans / Q000737:chemistry*
chemical_list: D005960:Glucosides; D057888:Iridoid Glucosides; D039823:Iridoids; D011714:Pyrans; C006650:aucubin; C036921:aucubigenin