Abstract
The title hydrate, C19H34O13·5H2O, contains a vicinally disubstituted trisaccharide in which the two terminal rhamnosyl sugar groups are positioned adjacent to each other. The conformation of the trisaccharide is described by the glycosidic torsion angles ϕ2 = 48 (1)°, ψ2 = −29 (1)°, ϕ3 = 44 (1)° and ψ3 = 4 (1)°, whereas the ψ2 torsion angle represents a conformation from the major state in solution, the ψ3 torsion angle conformation may have been caught near a potential energy saddle-point when compared to its solution structure, in which at least two but probably three conformational states are populated. Extensive intermolecular O—H⋯O hydrogen bonding is present in the crystal and a water-containing channel is formed along the b-axis direction.
Highlights
The title hydrate, C19H34O135H2O, contains a vicinally disubstituted trisaccharide in which the two terminal rhamnosyl sugar groups are positioned adjacent to each other
44 (1) and 3 = 4 (1), whereas the 2 torsion angle represents a conformation from the major state in solution, the 3 torsion angle conformation may have been caught near a potential energy saddle-point when compared to its solution structure, in which at least two but probably three conformational states are populated
H O hydrogen bonding is present in the crystal and a watercontaining channel is formed along the b-axis direction
Summary
Lars Erikssona* and Göran Widmalmb a Department of Material and Environmental Chemistry, Arrhenius Laboratory, Stockholm University, SE-106 91 Stockholm, Sweden, and bDepartment of Organic. Key indicators: single-crystal synchrotron study; T = 100 K; mean (C–C) = 0.003 Å;. R factor = 0.033; wR factor = 0.087; data-to-parameter ratio = 7.7. The title hydrate, C19H34O135H2O, contains a vicinally disubstituted trisaccharide in which the two terminal rhamnosyl sugar groups are positioned adjacent to each other. The conformation of the trisaccharide is described by the glycosidic torsion angles ’2 = 48 (1) , 2 = 29 (1) , ’3 =. H O hydrogen bonding is present in the crystal and a watercontaining channel is formed along the b-axis direction
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