InChIKey | KFEFLPDKISUVNR-BXEBWCLASA-N |
Inchi | 1S/C29H36O16/c30-11-19-22(37)23(38)24(39)29(42-19)45-27-25(40)28(41-8-7-14-2-5-16(33)18(35)10-14)43-20(12-31)26(27)44-21(36)6-3-13-1-4-15(32)17(34)9-13/h1-6,9-10,19-20,22-35,37-40H,7-8,11-12H2/t19-,20-,22-,23+,24-,25-,26-,27+,28-,29+/m1/s1 |
SMILES | O([C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O1)O[H])O[H])O[H])[C@@]1([H])[C@]([H])([C@]([H])(OC([H])([H])C([H])([H])C2C([H])=C([H])C(=C(C=2[H])O[H])O[H])O[C@]([H])(C([H])([H])O[H])[C@@]1([H])OC(C([H])=C([H])C1C([H])=C([H])C(=C(C=1[H])O[H])O[H])=O)O[H] |
LogP | -2.04350 |
PSA | 265.52000 |
沸点 | 953℃/760mmHg |
颜色与性状 | Powder |
密度 | 1.66 |
精确分子量 | 640.20000 |
氢键供体数量 | 10 |
氢键受体数量 | 16 |
可旋转化学键数量 | 12 |
同位素质量 | 640.20033506 g/mol |
重原子数量 | 45 |
复杂度 | 953 |
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 | 1 |
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) | -1 |
拓扑分子极性表面积 | 266 |
分子量 | 640.6 |
1.
Beneficial effects of psyllium on the prevention and treatment of cardiometabolic diseases
Chen Chen,Chang Shang,Laiyun Xin,Mi Xiang,Yuling Wang,Zihuan Shen,Linke Jiao,Fan Ding,Xiangning Cui Food Funct. 2022 13 7473
2.
Characterization of phenolic compounds in tincture of edible Nepeta nuda: development of antimicrobial mouthwash
Marija Smiljkovi?,Maria Inês Dias,Dejan Stojkovi?,Lillian Barros,Danka Bukvi?ki,Isabel C. F. R. Ferreira,Marina Sokovi? Food Funct. 2018 9 5417
3.
Characterization and identification of chemical components in Neopicrorhiza scrphulariiflora roots by liquid chromatography-electrospray ionization quadrupole time-of-flight tandem mass spectrometry
Chunting Li,Yongqiang Liu,Rahima Abdulla,Haji Akber Aisa,Yourui Suo Anal. Methods 2014 6 3634
4.
Structure–inhibition relationship of phenylethanoid glycosides on angiotensin-converting enzyme using ultra-performance liquid chromatography-tandem quadrupole mass spectrometry
Pengfei Li,Meng Qi,Haijun Hu,Qing Liu,Qiming Yang,Dandan Wang,Fujiang Guo,S. W. Annie Bligh,Zhengtao Wang,Li Yang RSC Adv. 2015 5 51701
5.
A deep clustering-based mass spectral data visualization strategy for anti-renal fibrotic lead compound identification from natural products
Jieying Lai,Lichuang Huang,Yini Bao,Lu Wang,Qiang Lyu,Haodan Kuang,Kuilong Wang,Xianan Sang,Qiao Yang,Qiyuan Shan,Gang Cao Analyst 2022 147 4739
6.
Inhibition of advanced glycation endproduct formation by foodstuffs
Chi-Hao Wu,Shang-Ming Huang,Jer-An Lin,Gow-Chin Yen Food Funct. 2011 2 224
7.
Recent development of plant products with anti-glycation activity: a review
Ashish A. Chinchansure,Arvind M. Korwar,Mahesh J. Kulkarni,Swati P. Joshi RSC Adv. 2015 5 31113
8.
Phenylethanoid glycosides in plants: structure and biological activity
Carlos Jiménez,Ricardo Riguera Nat. Prod. Rep. 1994 11 591
9.
Casein glycomacropeptide hydrolysates inhibit PGE2 production and COX2 expression in LPS-stimulated RAW 264.7 macrophage cells via Akt mediated NF-κB and MAPK pathways
Tiange Li,Dongxiao Gao,Min Du,Xue Cheng,Xueying Mao Food Funct. 2018 9 2524
10.
Zn2+ and mPTP mediate resveratrol-induced myocardial protection from endoplasmic reticulum stress
Yifei He,Yu Fu,Mengyao Xi,Huan Zheng,Yidong Zhang,Yulin Liu,Yang Zhao,Jinkun Xi,Yonggui He Metallomics 2020 12 290
物理化学性质
密度: 1.66g/cm 3沸点: 953Cat760mmHg闪点: 308.4C间
产品用途
应用领域
上下游产品信息
化学品安全说明书(MSDS)
储运特性