中文名 |
七叶皂苷C |
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英文名 |
(3β,16α,21β,22α)-28-Acetoxy-16,22,24-trihydroxy-21-{[(2E)-2-methylbut-2-enoyl]oxy}olean-12-en-3-yl β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D-glucopyranosiduronic acid |
中文别名 |
异七叶皂苷 Ia |
英文别名 |
更多 |
描述 |
Isoescin IA 是一种从 Aesculus chinensis 种子中分离出的三萜皂苷。Isoescin IA 具有抗 HIV-1 蛋白酶活性。 |
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相关类别 |
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SMILES |
CC(OC[C@]1([C@H]2O)[C@](CC(C)(C)[C@H]2OC(/C(C)=C/C)=O)([H])C3=CC[C@@]4([H])[C@@](C)(CC[C@]5([H])[C@@]4(CC[C@H](O[C@@](O[C@H](C(O)=O)[C@@H](O[C@]([C@@H]([C@@H](O)[C@@H]6O)O)([H])O[C@@H]6CO)[C@@H]7O)([H])[C@@H]7O[C@]([C@@H]([C@@H](O)[C@@H]8O)O)([H])O[C@@H]8CO)[C@]5(C)CO)C)[C@]3(C)C[C@H]1O)=O |
参考文献 |
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密度 | 1.5±0.1 g/cm3 |
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沸点 | 1148.1±65.0 °C at 760 mmHg |
分子式 | C55H86O24 |
分子量 | 1131.257 |
闪点 | 314.2±27.8 °C |
精确质量 | 1130.550903 |
LogP | 2.17 |
蒸汽压 | 0.0±0.6 mmHg at 25°C |
折射率 | 1.628 |
2-butenoic acid, 2-methyl-, (3β,16α,21β,22α)-28-(acetyloxy)-3-[[O-β-D-glucopyranosyl-(1->2)-O-[β-D-glucopyranosyl-(1->4)]-β-D-glucopyranuronosyl]oxy]-16,22,24-trihydroxyolean-12-en-21-yl ester, (2E)- |
2-Butenoic acid, 2-methyl-, (3β,16α,21β,22α)-28-(acetyloxy)-3-[[O-β-D-glucopyranosyl-(1->2)-O-[β-D-glucopyranosyl-(1->4)]-β-D-glucopyranuronosyl]oxy]-16,22,24-trihydroxyolean-12 
-en-21-yl ester, (2E)- |
(3β,16α,21β,22α)-28-Acetoxy-16,22,24-trihydroxy-21-{[(2E)-2-methylbut-2-enoyl]oxy}olean-12-en-3-yl β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D-glucopyranosiduronic acid |
(3β,16α,21β,22α)-28-Acetoxy-16,22,24-trihydroxy-21-{[(2E)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D-glucopyranosiduronic 
 acid |
Isoescin IA |
Aescin C |
Escin IVa |