MDL | MFCD00149490 |
InChIKey | NLLBWFFSGHKUSY-JPRRWYCFSA-N |
Inchi | InChI=1S/C27H30O16.3H2O/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9;;;/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3;3*1H2/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-;;;/m0.../s1 |
SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@H](OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C4=CC(=C(C=C4)O)O)OC5=CC(=CC(=C5C3=O)O)O)O)O)O)O1)O)O)O.O.O.O |
BRN | 75455 |
LogP | 6.34500 |
PSA | 27.69000 |
Merck | 14,3802 |
水溶性 | Soluble in DMSO, acetone, dichloromethane or ethyl acetate. Insoluble in water. |
熔点 | 195°C |
颜色与性状 | 黄色的粉末 |
溶解性 | 稍微可溶解于水的 |
敏感性 | Light Sensitive |
密度 | 1.8200 |
精确分子量 | 324.26600 |
氢键供体数量 | 13 |
氢键受体数量 | 19 |
可旋转化学键数量 | 6 |
重原子数量 | 46 |
复杂度 | 1020 |
同位素原子数量 | 0 |
确定原子立构中心数量 | 10 |
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 | 4 |
疏水参数计算参考值(XlogP) | 无 |
互变异构体数量 | 162 |
表面电荷 | 0 |
EINECS | 205-814-1 |
1.
Attenuated glutamate induced ROS production by antioxidative compounds in neural cell lines
Haolin Xin,Ying Cui,Zhongping An,Qian Yang,Xuan Zou,Ning Yu RSC Adv. 2019 9 34735
2.
Matrix solid phase dispersion extraction for determination of flavonoids in the flower of Chrysanthemum morifolium Ramat. by capillary zone electrophoresis
Huijie Zhang,Mingqin Kang,Hanqi Zhang,Yong Yu Anal. Methods 2014 6 766
3.
Enhanced detection of ascorbic acid with cascaded fluorescence recovery of a dual-nanoquencher system
Zhi-Ang Liu,Ya-Nan Zuo,Yinghui Xia,Jing Sun,Shuyun Zhu Anal. Methods 2022 14 3632
4.
Rutin-loaded polymeric nanorods alleviate nephrolithiasis by inhibiting inflammation and oxidative stress in vivo and in vitro
Sarmistha Saha,Abhijit Mishra Food Funct. 2022 13 3632
5.
Analysis of flavonoids by graphene-based surface-assisted laser desorption/ionization time-of-flight mass spectrometry
Chih-Wei Liu,Min-Wei Chien,Ching-Yuan Su,Hui-Yi Chen,Lain-Jong Li,Chien-Chen Lai Analyst 2012 137 5809
6.
Effect of extraction solvents/techniques on polyphenolic contents and antioxidant potential of the aerial parts of Nepeta leucophylla and the analysis of their phytoconstituents using RP-HPLC-DAD and GC-MS
Ajay Sharma,Damanjit Singh Cannoo RSC Adv. 2016 6 78151
7.
Dynamic investigation of zein-based degradable and hemocompatible coatings for drug-eluting stents: a microfluidic approach
Martina Lenzuni,Silvio Bonfadini,Luigino Criante,Filippo Zorzi,Maria Summa,Rosalia Bertorelli,Giulia Suarato,Athanassia Athanassiou Lab Chip 2023 23 1576
8.
Rutin phospholipid complexes confer neuro-protection in ischemic-stroke rats
Hafsa Ahmad,Abhishek Arya,Satish Agrawal,Prachi Mall,Sheeba Saji Samuel,Komal Sharma,Pankaj Kumar Singh,Sandeep Kumar Singh,Guru Raghavendra Valicherla,Kalyan Mitra,Jiaur Rehman Gayen,Sarvesh Paliwal,Rakesh Shukla,Anil Kumar Dwivedi RSC Adv. 2016 6 96445
9.
Chemometric and green metric strategies for sustainable analytical methods: phenolic compounds in lettuce-NADES extracts
Romina Canales,Magdalena Espino,Sergio Pasini,María Fernanda Silva Anal. Methods 2021 13 1261
10.
A new “functional” pasta containing tartary buckwheat sprouts as an ingredient improves the oxidative status and normalizes some blood pressure parameters in spontaneously hypertensive rats
Nicolò Merendino,Romina Molinari,Lara Costantini,Andrea Mazzucato,Anna Pucci,Francesco Bonafaccia,Marco Esti,Brunella Ceccantoni,Cristiano Papeschi,Giovanni Bonafaccia Food Funct. 2014 5 1017
PubChemId | 24888176 |
Beilstein | 75455 |
SMILES
O.O.O.OC1=C(O)C=C(C=C1)C2=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)O3)C(=O)C5C(=CC(O)=CC=5O)O2