Name: Alpha-Hederin
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212657738
Cas No:27013-91-8
常用名:Alpha-Hederin
别名:α常春藤皂甙, α-Hederin, Tauroside E, Helixin, Hederoside C
别名:α常春藤皂甙, α-Hederin, Tauroside E, Helixin, Hederoside C
IUPAC:(4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-10-{[(2S,3R,4S,5S)-4,5-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
IUPAC:(4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-10-{[(2S,3R,4S,5S)-4,5-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
InChI key:KEOITPILCOILGM-LLJOFIFVSA-N

分子式:C41H66O12
分子量:750.967
氢键供体数 (HBD):7
氢键受体数 (HBA):12
LogP:3.449636
SMILES:C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@@]5(CC[C@@]43C)C(O)=O)[C@]2(C)CO)[C@H](O)[C@H](O)[C@H]1O |t:28|
SMILES:C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@@]5(CC[C@@]43C)C(O)=O)[C@]2(C)CO)[C@H](O)[C@H](O)[C@H]1O |t:28|

Alpha-Hederin (Standard) 是 Alpha-Hederin 的标准品。适用于定量分析、质量控制及生化实验等相关研究。Alpha-Hederin (Tauroside E) 是存在于黑种草种子中的一种单桥糖三萜皂苷，具有抗肿瘤作用。它可通过激活线粒体依赖性途径抑制胃癌细胞增殖，诱导凋亡，并有活性氧生成和谷胱甘肽减少。

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