Information card for entry 7243876

Structure parameters

• Chemical name: 5,2?,6?-trihydroxy-7-methoxyflavone 2?-O-β-D-glucopyranoside
• Formula: C23 H26 O12
• Calculated formula: C23 H26 O12
• SMILES: OC.O1C(=CC(=O)c2c(O)cc(OC)cc12)c1c(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)cccc1O
• Title of publication: A comparative assessment of in vitro cytotoxic activity and phytochemical profiling of Andrographis nallamalayana J.L.Ellis and Andrographis paniculata (Burm. f.) Nees using UPLC-QTOF-MS/MS approach
• Authors of publication: Goel, Narender; Gajbhiye, Rahul L.; Saha, Moumita; Nagendra, Chennuru; Reddy, Araveeti Madhusudhana; Ravichandiran, V.; Das Saha, Krishna; Jaisankar, Parasuraman
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 57
• Pages of publication: 35918 - 35936
• a: 11.5283 ± 0.0007 Å
• b: 8.0352 ± 0.0005 Å
• c: 24.3766 ± 0.0015 Å
• α: 90°
• β: 103.495 ± 0.004°
• γ: 90°
• Cell volume: 2195.7 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0724
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1774
• Weighted residual factors for all reflections included in the refinement: 0.1815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No