qinyangshengenin-3-O-β-D-digitoxopyranoside

• 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: qinyangshengenin-3-O-β-D-digitoxopyranoside
• 英文别名: otophylloside C；[(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-8,14,17-trihydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] 4-hydroxybenzoate
• 化学式: C₃₄H₄₆O₁₁
• 分子量: 630.733
• InChiKey: ATEZNNVIKQPVIN-BTJWURJISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  45
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  183
• 氢给体数：
  6
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  qinyangshengenin-3-O-β-D-digitoxopyranoside 在 硫酸 、 水 作用下， 以 甲醇 为溶剂， 反应 0.75h， 生成 头孢噻肟
  参考文献：
  名称：

  Two new steroidal glycosides fromCynanchum otophyllumSchneid

  摘要：

  Two new C21 steroidal glycosides were isolated from Cynanchum otophyllum Schneid. Their structures were elucidated as qinyangshengenin-3-O-beta-d-digitoxopyranoside (1) and rostratamine-3-O-beta-d-cymaropyranosyl-(1 -> 4)-beta-d-digitoxopyranoside (2) on the basis of chemical and spectroscopic methods, including 1D and 2D NMR experiments.

  DOI：

  10.1080/10286020.2014.956308

文献信息

• Two new steroidal glycosides from<i>Cynanchum otophyllum</i>Schneid
  作者：Xin-Xin Yang、Yong-Rui Bao、Li-Fen Wang、Shuai Wang、Li-Na Bao、Yu-Peng Guan、Xian-Sheng Meng

  DOI：10.1080/10286020.2014.956308

  日期：2015.3.4

  Two new C21 steroidal glycosides were isolated from Cynanchum otophyllum Schneid. Their structures were elucidated as qinyangshengenin-3-O-beta-d-digitoxopyranoside (1) and rostratamine-3-O-beta-d-cymaropyranosyl-(1 -> 4)-beta-d-digitoxopyranoside (2) on the basis of chemical and spectroscopic methods, including 1D and 2D NMR experiments.