tuberoside f2 | 1333406-90-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: tuberoside f2
• 英文别名: (1S,6S,9R,10R,12R,13S,17R,18S)-6-[(2R,4S,5R,6R)-5-[(2S,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3-hydroxy-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-9,13,18-trimethyl-19,20-dioxapentacyclo[10.7.1.01,10.04,9.013,17]icos-3-en-14-one
• CAS: 1333406-90-8
• 化学式: C₄₉H₇₈O₁₇
• 分子量: 939.148
• InChiKey: FCPUYFNTBCLEPB-WTUMZNBISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  66
• 可旋转键数：
  12
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  187
• 氢给体数：
  2
• 氢受体数：
  17

反应信息

• 作为反应物：
  描述：

  tuberoside f2 在 盐酸 、 水 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.0h， 生成 5,6-didehydrotuberogenin
  参考文献：
  名称：

  8,12;8,20-Diepoxy-8,14-secopregnane glycosides from roots of Asclepias tuberosa and their effect on proliferation of human skin fibroblasts

  摘要：

  A pregnane glycoside fraction from the roots of Asclepias tuberose L. caused normal human skin fibroblasts to proliferate. This fraction contained 21 pregnane glycosides whose structures were established using NMR spectroscopic analysis and chemical evidence. The aglycones of most of these compounds were identified as 8,12;8,20-diepoxy-8,14-secopregnanes, such as tuberogenin or 5,6-didehydrotuberogenin, the same aglycones as constituents of the aerial parts of this plant. Some of these compounds also caused proliferation of skin fibroblasts. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2011.05.012