deoxyamplexicogenin A 3-O-β-D-cymaropyranosoyl-(1→4)-β-D-digitoxopyranosoyl-(1→4)-β-D-thevetopyranoside

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: deoxyamplexicogenin A 3-O-β-D-cymaropyranosoyl-(1→4)-β-D-digitoxopyranosoyl-(1→4)-β-D-thevetopyranoside
• 英文别名: stauntoside J；Anhydrohirundigenin 3-O-beta-D-cymaropyranosyl-(1->4)-beta-D-digitoxopyranosyl-(1->4)-beta-D-thevetopyranoside；(2R,3R,4R,5R,6R)-2-[[(1R,4R,5R,8S,16S,19S,22R)-5,19-dimethyl-15,18,20-trioxahexacyclo[14.5.1.01,14.04,13.05,10.019,22]docosa-10,13-dien-8-yl]oxy]-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-3-ol
• 化学式: C₄₁H₆₂O₁₄
• 分子量: 778.935
• InChiKey: IJURZYNOTGJREA-RDUIAEDZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  55
• 可旋转键数：
  8
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  162
• 氢给体数：
  3
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  deoxyamplexicogenin A 3-O-β-D-cymaropyranosoyl-(1→4)-β-D-digitoxopyranosoyl-(1→4)-β-D-thevetopyranoside 在 盐酸 、 水 作用下， 反应 2.5h， 生成 头孢噻肟 、 D-symarose 、 雌-4-烯-3-酮,10-乙基-17-羟基-,(17b)-(9CI)
  参考文献：
  名称：

  Nine new steroidal glycosides from the roots of Cynanchum stauntonii

  摘要：

  Nine new steroidal glycosides, named as stauntosides C-K (2, 5, 7-10, 13, 14, and 16), along with seven known compounds (1, 3, 4, 6, 11, 12, and 15) were isolated from the 95% ethanol extract of the roots of Cynanchum stauntonii. The structures of these new compounds were elucidated on the basis of extensive spectroscopic analyses, mainly 1D and 2D NMR, and HRESI-MS, and qualitative chemical methods. Their significance in terms of the chemotaxonomy of C. stauntonii is discussed. (c) 2012 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.steroids.2012.10.007