17α-digitoxigenin β-D-glucos-3-ulosyl-(1->4)-α-L-thevetoside | 114586-44-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 17α-digitoxigenin β-D-glucos-3-ulosyl-(1->4)-α-L-thevetoside
• 英文别名: (2S,3S,5R,6R)-3,5-dihydroxy-2-[(2S,3S,4S,5S,6R)-5-hydroxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17S)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxan-4-one
• CAS: 114586-44-6
• 化学式: C₃₆H₅₄O₁₃
• 分子量: 694.817
• InChiKey: NKZBRKLZVGTNJX-ORFCZMBTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  49
• 可旋转键数：
  7
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  191
• 氢给体数：
  5
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  17α-digitoxigenin β-D-glucos-3-ulosyl-(1->4)-α-L-thevetoside 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 生成 (2R,3R,4S,5S,6R)-2-((2S,3S,4S,5S,6R)-5,6-Dihydroxy-4-methoxy-2-methyl-tetrahydro-pyran-3-yloxy)-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol 、
  参考文献：
  名称：

  Studies on cerbera. IV. Polar cardenolide glycosides from the leaves of Cerbera odollam and Cerbera manghas.

  摘要：

  Glucos-3-ulosyl-thevetosides of 17α-digitoxigenin and 17α-tanghinigenin were obtained from air-dried leaves of Cerbera manghas and C. odollam. From fresh leaves, oleagenin glucosylthevetoside and digitoxigenin gentiotriosyl-thevetoside were isolated besides known glycosides, glucosyl-thevetosides of digitoxigenin and tanghinigenin The difference between the cardenolide glycosides of the air-dried leaves and of the fresh leaves, and the glycosides patterns in the two species are discussed

  DOI：

  10.1248/cpb.35.4813