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
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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
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Recent advances in ginseng as cancer therapeutics: a functional and mechanistic overview
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4.
Synthesis, characterization and cytotoxic activity evaluation of ginsengdiol oxidation and nitrogen hybrid derivatives
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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
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6.
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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
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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