bersimoside I | 130444-08-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: bersimoside I
• 英文别名: 3-O-[α-L-rhamnopyranosyl(1->2)-β-D-galactopyranosyl(1->2)-β-D-glucuronopyranosyl]-22-O-[β-D-glucopyranosyl(1->2)-β-D-glucopyranosyl] soyasapogenol B；I(2)-D-Glucopyranosiduronic acid, (3I(2),4I(2),22I(2))-22-[(2-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranosyl)oxy]-23-hydroxyolean-12-en-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-I(2)-D-galactopyranosyl-(1a2)-；(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
• CAS: 130444-08-5
• 化学式: C₆₀H₉₈O₂₈
• 分子量: 1267.42
• InChiKey: OGJALRFDUFLIDX-ZHAZELLBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  88
• 可旋转键数：
  15
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  453
• 氢给体数：
  17
• 氢受体数：
  28

反应信息

• 作为反应物：
  描述：

  bersimoside I 在 glycyrrihizin hydrolase 作用下， 以 乙醚 为溶剂， 反应 336.0h， 生成 prosapogenin
  参考文献：
  名称：

  Oleanene glycosides from seeds of Trifolium alexandrinum

  摘要：

  From the seeds of Trifolium alexandrinum, two new oleanene-type triterpene glycosides were isolated as their methyl esters, together with five known saponins. The structures of the isolated compounds were determined by NMR and mass spectral analyses.

  DOI：

  10.1016/0031-9422(95)00430-f

文献信息

• Oleanene glycosides from seeds of Trifolium alexandrinum
  作者：Khaled M. Mohamed、Kazuhiro Ohtani、Ryoji Kasai、Kazuo Yamasaki

  DOI：10.1016/0031-9422(95)00430-f

  日期：1995.11

  From the seeds of Trifolium alexandrinum, two new oleanene-type triterpene glycosides were isolated as their methyl esters, together with five known saponins. The structures of the isolated compounds were determined by NMR and mass spectral analyses.