Name: Asiaticoside
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212664426
Cas No:16830-15-2
常用名:Asiaticoside
别名:积雪草皂苷, 积雪草苷, NSC166062, Madecassol, Emdecassol, CCRIS8995, BRN0078195, Ba 2742
别名:积雪草皂苷, 积雪草苷, NSC166062, Madecassol, Emdecassol, CCRIS8995, BRN0078195, Ba 2742
IUPAC:(2S,3R,4S,5S,6S)-6-({[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl (1S,2R,4aS,6aS,6bR,8aR,9R,10R,11R,12aR,12bR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,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-carboxylate
IUPAC:(2S,3R,4S,5S,6S)-6-({[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl (1S,2R,4aS,6aS,6bR,8aR,9R,10R,11R,12aR,12bR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,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-carboxylate
InChI key:WYQVAPGDARQUBT-UZYUCHFMSA-N

分子式:C48H78O19
分子量:959.133
氢键供体数 (HBD):12
氢键受体数 (HBA):18
LogP:-0.53669876
SMILES:C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O[C@@H]1O[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |c:9|
SMILES:C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O[C@@H]1O[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |c:9|

Asiaticoside (Standard) 是 Asiaticoside 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。Asiaticoside (Emdecassol) 是一种从积雪草中分离得到的三萜皂苷化合物，具有抗氧化、抗炎、抗溃疡等作用。在瘢痕疙瘩成纤维细胞中，它通过活化 Smad7，抑制 TGF-βRI 和 TGF-βRII，抑制 TGF-β/Smad 信号通路。

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