Information card for entry 1505230

Structure parameters

• Formula: C32 H56 O11
• Calculated formula: C32 H53 O18
• SMILES: O1[C@H]([C@@H]([C@H]([C@H](O)[C@H]1O[C@@H]1[C@@H](O[C@](CC[C@@H]2[C@@]3([C@@H](CC[C@@]2(O)C)C([C@H](CC3)O)(C)C)C)(C=C)C)O[C@@H]([C@@H](O)[C@@H]1O)C)O)O)C.O.O.O.O.O.O.O
• Title of publication: Diterpenoid glycosides from the bitter fern Gleichenia quadripartita.
• Authors of publication: Socolsky, Cecilia; Asakawa, Yoshinori; Bardón, Alicia
• Journal of publication: Journal of natural products
• Year of publication: 2007
• Journal volume: 70
• Journal issue: 12
• Pages of publication: 1837 - 1845
• a: 11.136 ± 0.002 Å
• b: 11.655 ± 0.003 Å
• c: 15.148 ± 0.004 Å
• α: 90°
• β: 90.617 ± 0.007°
• γ: 90°
• Cell volume: 1965.9 ± 0.8 ų
• Cell temperature: 298 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.2097
• Weighted residual factors for all reflections included in the refinement: 0.2417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No