14β,16β-dihydroxy-3β-[(β-D-glucopyranosyl)oxy]-5β-bufa-20,22-dienolide | 1304015-70-0

• 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: 14β,16β-dihydroxy-3β-[(β-D-glucopyranosyl)oxy]-5β-bufa-20,22-dienolide
• 英文别名: tigencaoside A；5-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
• CAS: 1304015-70-0
• 化学式: C₃₀H₄₄O₁₀
• 分子量: 564.673
• InChiKey: QIVAZRNVKKOUNT-ZXJBVILDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  40
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  166
• 氢给体数：
  6
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  14β,16β-dihydroxy-3β-[(β-D-glucopyranosyl)oxy]-5β-bufa-20,22-dienolide 在 盐酸 、 水 作用下， 反应 2.0h， 生成 葡萄糖
  参考文献：
  名称：

  Two new bufadienolides from the rhizomes of Helleborus thibetanus Franch

  摘要：

  Two new bufadienolides, named tigencaoside A(1) and tigencaoside B(2), were isolated from the rhizomes of Helleborus thibetanus Franch., along with two known bufadienolides, hellebrigenin (3) and 5 beta,14 beta-dihydroxy-19-oxo-3 beta-[(alpha-L-rhamnopyranosyl)oxy]bufa-20,22-dienolide (4). Their structures were elucidated on the basis of extensive spectroscopic analysis. Two new compounds were evaluated for their cytotoxic activities against four strains of cultured tumor cells. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.fitote.2010.03.009