Crystal Structure of Nystose Trihydrate

Article abstract of DOI:10.1246/bcsj.66.374

A tetrasaccharide, O-α-D-glucopyranosyl-(1<*>2)-O-β-D-fructofuranosyl-(1<*>2)-O-β-D-fructofuranosyl-(1<*>2)-O-β-D-fructofuranoside (nystose) trihydrate (C24H42O21*3H2O), was crystallized from its aqueous solution by using seed crystals.The crystal structure has been determined by an X-ray diffraction method.The crystal data are as follows: orthorhombic, P2₁2₁2₁, Z = 4, a = 13.582(3), b = 23.385(6), and c = 10.198(2) Angstroem.The α-D-glucopyranose ring has the normal type ⁴C₁ chair conformation, and three fructofuranose rings have the ⁴T₃, E₄, and ⁴T₃ (or E₃) conformations.As in the 1-kestose crystal, all of the hydrogen bonds found made connections between adjacent molecules.Although the linkage conformation (<*>C1O1C1-2C1-1, <*>C2C1O1C1-2) of the sucrose component in nystose (100,3 deg, -137.1 deg) was different from that in 1-kestose (53.3 deg, -152.9 deg), the linkage conformation (φ, ψ, ω) of the inulobiose component at the end of nystose (71.3 deg, -165.9 deg, 68.0 deg) was very similar to that of 1-kestose (80.5 deg, -169.6 deg, 56.5 deg).