trifostigmanoside III

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: trifostigmanoside III
• 英文别名: (4R)-4-[(3R)-3-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-3,5,5-trimethylcyclohex-2-en-1-one
• 化学式: C₂₄H₄₀O₁₁
• 分子量: 504.575
• InChiKey: RHNSJJMGTFIZBZ-ZGMWUTSESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  175
• 氢给体数：
  6
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  trifostigmanoside III 在 盐酸 作用下， 反应 3.0h， 以6.4 mg的产率得到4-(3-羟基丁基)-3,5,5-三甲基环己-2-烯-1-酮
  参考文献：
  名称：

  Megastigmane glycosides from seeds of Trifoliumalexandrinum

  摘要：

  Five megastigmane glycosides have been isolated From the seeds of Trifolium alexandrinum L., of which two are known compounds, while three are new compounds showing the presence of apiofuranosyl-(1 --> 2)-glucopyranosyl residue as a sugar moiety. The structures of the isolated compounds were established on the basis of NMR and mass spectral data. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(98)00603-7

文献信息

• Megastigmane glycosides from seeds of Trifoliumalexandrinum
  作者：Khaled M Mohamed、Mahmoud H Mohamed、Kazuhiro Ohtani、Ryoji Kasai、Kazuo Yamasaki

  DOI：10.1016/s0031-9422(98)00603-7

  日期：1999.3

  Five megastigmane glycosides have been isolated From the seeds of Trifolium alexandrinum L., of which two are known compounds, while three are new compounds showing the presence of apiofuranosyl-(1 --> 2)-glucopyranosyl residue as a sugar moiety. The structures of the isolated compounds were established on the basis of NMR and mass spectral data. (C) 1999 Elsevier Science Ltd. All rights reserved.