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

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 P212121 space group, both cyclopentane ring and pyran ring adopt envelope conformations, and the Glc moiety is in the 4C1 conformation. Crystals of 2 are monoclinic, with space group P21, 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.

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