| MDL | MFCD01762823 |
| InChIKey | BBFYUPYFXSSMNV-HMGRVEAOSA-N |
| Inchi | 1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1 |
| SMILES | O1[C@]([H])([C@@]([H])([C@]([H])([C@@]([H])([C@@]1([H])C([H])([H])O[H])O[H])O[H])O[H])OC1=C([H])C(=C2C(C(=C(C3C([H])=C([H])C(=C(C=3[H])O[H])O[H])OC2=C1[H])O[H])=O)O[H] |
| LogP | -0.53890 |
| PSA | 210.51000 |
| 折射率 | 1.774 |
| 沸点 | 859.2℃/760mmHg |
| 闪点 | 302.8°C |
| 颜色与性状 | Yellow powder |
| 密度 | 1.809 |
| 精确分子量 | 464.09500 |
| 氢键供体数量 | 8 |
| 氢键受体数量 | 12 |
| 可旋转化学键数量 | 4 |
| 同位素质量 | 464.095476 |
| 重原子数量 | 33 |
| 复杂度 | 758 |
| 同位素原子数量 | 0 |
| 确定原子立构中心数量 | 5 |
| 不确定原子立构中心数量 | 0 |
| 确定化学键立构中心数量 | 0 |
| 不确定化学键立构中心数量 | 0 |
| 共价键单元数量 | 1 |
| 疏水参数计算参考值（XlogP） | 0.4 |
| 互变异构体数量 | 183 |
| 表面电荷 | 0 |
| 拓扑分子极性表面积 | 207 |
| 分子量 | 464.4 |
| 危险品运输编号 | NONH for all modes of transport |
| 储存条件 | 2-8°C |
1.
Identification of a secondary Q-marker in high-quality ecotypes of Carthamus tinctorius L. and exploration of the target preference
Tiexin Zeng,Qi Xiao,Jianuo Zhang,Xiao Sun,Baolin Guo,Jin Pei,Lin-Fang Huang Food Funct. 2023 14 2710
2.
Quercetin 7-O-glucoside suppresses nitrite-induced formation of dinitrosocatechins and their quinones in catechin/nitrite systems under stomach simulating conditions
Filis Morina,Umeo Takahama,Ryo Yamauchi,Sachiko Hirota,Sonja Veljovic-Jovanovic Food Funct. 2015 6 218
3.
Rapid screening and identification of non-target flavonoid components in invasive weeds by LC/MS-IT-TOF
Minchao Wang,Aocheng Cao,Canbin Ouyang,Yuan Li,Yun Wei Anal. Methods 2015 7 10207
4.
Vitis vinifera leaf extract liposomal Carbopol gel preparation's potential wound healing and antibacterial benefits: in vivo, phytochemical, and computational investigation
Abeer H. Elmaidomy,Soad A. Mohamad,Mahmoud Abdelnaser,Ramadan Yahia,Fatma A. Mokhtar,Faisal Alsenani,Moutaz Y. Badr,Safa Y. Almaghrabi,Faisal H. Altemani,Mubarak A. Alzubaidi,Entesar Ali Saber,Mahmoud A. Elrehany,Usama Ramadan Abdelmohsen,Ahmed M. Sayed Food Funct. 2023 14 7156
5.
Analysis of antioxidants in Chrysanthemum indici flos by online gradient extraction and HPLC-FRAP
Weifeng Fan,Jianqiao Zhou,Zi Wu,Guoying Tan,Haoxiang Li,Quanxi Mei,Zhengming Qian Anal. Methods 2021 13 2283
6.
XIII.—The colouring matter of cotton flowers. Part III
Arthur George Perkin J. Chem. Soc. Trans. 1916 109 145
7.
Phenolic profiling of the aerial part of Chrysanthemum trifurcatum using ultra high performance liquid chromatography coupled to Orbitrap high resolution mass spectrometry
Wiem Tahri,Abdelwaheb Chatti,Roberto Romero-González,Noelia López-Gutiérrez,Antonia Garrido Frenich,Ahmed Landoulsi Anal. Methods 2016 8 3517
8.
Morus nigra leaf extract improves glycemic response and redox profile in the liver of diabetic rats
Carolina Morais Araujo,Karine de Pádua Lúcio,Marcelo Eustáquio Silva,Mauro César Isoldi,Gustavo Henrique Bianco de Souza,Geraldo Célio Brand?o,Richard Schulz,Daniela Caldeira Costa Food Funct. 2015 6 3490
9.
A strategy for establishment of practical identification methods for Chinese patent medicine from systematic multi-component characterization to selective ion monitoring of chemical markers: Shuxiong tablet as a case study
Changliang Yao,Wenzhi Yang,Wei Si,Huiqin Pan,Shi Qiu,Jia Wu,Xiaojian Shi,Ruihong Feng,Wanying Wu,Dean Guo RSC Adv. 2016 6 65055
10.
CCXXXIV.—The colouring matter of cotton flowers. Gossypium herbaceum. Part II
Arthur George Perkin J. Chem. Soc. Trans. 1909 95 2181
