| MDL | MFCD00210541 |
| InChIKey | QFJUYMMIBFBOJY-UXZRXANASA-N |
| Inchi | 1S/C30H52O4/c1-25(2)12-9-13-30(8,34-25)18-10-15-28(6)23(18)19(31)16-21-27(5)14-11-22(33)26(3,4)24(27)20(32)17-29(21,28)7/h18-24,31-33H,9-17H2,1-8H3/t18-,19+,20+,21+,22-,23+,24?,27+,28-,29+,30+/m0/s1 |
| SMILES | C[C@@]1(CC[C@@H]2O)[C@](C[C@H]3O)([H])[C@](C[C@@H](O)[C@@]1([H])C2(C)C)(C)[C@@]4(C)[C@@]3([H])[C@]([C@](CCC5)(C)OC5(C)C)([H])CC4 |
| LogP | 5.71180 |
| PSA | 69.92000 |
| 颜色与性状 | Powder |
| 溶解性 | 未确定 |
| 精确分子量 | 476.38700 |
| 氢键供体数量 | 3 |
| 氢键受体数量 | 4 |
| 可旋转化学键数量 | 1 |
| 同位素质量 | 476.38656014 g/mol |
| 重原子数量 | 34 |
| 复杂度 | 823 |
| 同位素原子数量 | 0 |
| 确定原子立构中心数量 | 11 |
| 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） | 5.5 |
| 拓扑分子极性表面积 | 69.9Ų |
| 分子量 | 476.7 |
1.
Rapid determination of Panax ginseng by near-infrared spectroscopy
Bu Haibo,Nie Lixing,Wang Dan,Yuan Shaoxiong,Li Shan,Guo Zhiyong,Xu Xiaojia,Wang Gangli,Li Xiangri Anal. Methods 2013 5 6715
2.
Discovery of nontriterpenoids from the rot roots of Panax notoginseng with cytotoxicity and their molecular docking study and experimental validation
Jia-Huan Shang,Yi-Jun Qiao,Hong-Tao Zhu,Dong Wang,Chong-Ren Yang,Ying-Jun Zhang RSC Adv. 2023 13 11037
3.
Recent advances in ginseng as cancer therapeutics: a functional and mechanistic overview
Alice S. T. Wong,Chi-Ming Che,Kar-Wah Leung Nat. Prod. Rep. 2015 32 256
4.
Synthesis, characterization and cytotoxic activity evaluation of ginsengdiol oxidation and nitrogen hybrid derivatives
Yumeng Zhang,Weihui Yuan,Xude Wang,Hongyu Zhang,Yuanyuan Sun,Xiaoshu Zhang,Yuqing Zhao Med. Chem. Commun. 2018 9 1910
5.
MRM-based strategy for the homolog-focused detection of minor ginsenosides from notoginseng total saponins by ultra-performance liquid chromatography coupled with hybrid triple quadrupole-linear ion trap mass spectrometry
Jinfeng Chen,Xiaoyu Guo,Yuelin Song,Mingbo Zhao,Pengfei Tu,Yong Jiang RSC Adv. 2016 6 96376
6.
Dietary agents in mitigating chemotherapy-related cognitive impairment (chemobrain or chemofog): first review addressing the benefits, gaps, challenges and ways forward
Shamprasad Varija Raghu,Avinash Kundadka Kudva,Suresh Rao,Krishna Prasad,Jayesh Mudgal,Manjeshwar Shrinath Baliga Food Funct. 2021 12 11132
7.
Therapeutic effects of ginseng and ginsenosides on colorectal cancer
Linxian Zhao,Yueming Zhang,Yajuan Li,Chen Li,Kai Shi,Kai Zhang,Ning Liu Food Funct. 2022 13 6450
8.
A triterpenoidal saponin fraction of Conyza blinii H.Lév. is a dual-targeting autophagy inhibitor for HeLa cells
Haiyan Liu,Chenxi Hu,Nana Sun,Yuyin Li,Shuli Man,Zhenxing Liu,Aipo Diao,Long Ma RSC Adv. 2017 7 24291
9.
Classification of ginseng according to plant species, geographical origin, and age using laser-induced breakdown spectroscopy and hyperspectral imaging
Shangyong Zhao,Weiran Song,Zongyu Hou,Zhe Wang J. Anal. At. Spectrom. 2021 36 1704
SMILES
CC1(C)O[C@](CCC1)(C)[C@H]2[C@@H]3[C@](CC2)(C)[C@]4(C)[C@@H](C[C@@H]3O)[C@@]5(C)[C@@H](C(C)(C)[C@@H](O)CC5)[C@H](O)C4
