3β-[(O-β-D-glucopyranosyl-(1->4)-β-D-digitoxopyranosyl)oxy]-5β,14β-dihydroxy-7-en-card-20(22)-enolide | 1372104-19-2

• 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: 3β-[(O-β-D-glucopyranosyl-(1->4)-β-D-digitoxopyranosyl)oxy]-5β,14β-dihydroxy-7-en-card-20(22)-enolide
• 英文别名: periforoside E；3-[(3S,5S,9R,10R,13R,14R,17R)-5,14-dihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
• CAS: 1372104-19-2
• 化学式: C₃₅H₅₂O₁₃
• 分子量: 680.79
• InChiKey: LLZFNSMARKSPCI-NNHSUUNGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  48
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  205
• 氢给体数：
  7
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  3β-[(O-β-D-glucopyranosyl-(1->4)-β-D-digitoxopyranosyl)oxy]-5β,14β-dihydroxy-7-en-card-20(22)-enolide 在 硫酸 、 水 作用下， 以 吡啶 、 甲醇 为溶剂， 反应 7.0h， 生成
  参考文献：
  名称：

  Cytotoxic cardenolides from the stems of Periploca forrestii

  摘要：

  Six new cardenolides, periforosides D-E (1-2), periforgenin C (3) and periforosides F-H (4-6), as well as 10 previously identified cardenolides (7-16) were isolated from the ethanol extract of the stems of Periploca forrestii. The structures of the new compounds were determined using extensive spectroscopic analyses including HRESI-MS, 1D and 20 NMR data. Evaluation of the cytotoxic activity of all the isolated compounds in five different human cancer cell lines indicated that compounds 2-6, 8, 9 and 12-16 have potent activity. (C) 2011 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.steroids.2011.12.013