qingyangshengenin 3-O-β-D-oleandropyranosyl-(1→4)-β-D-oleandropyranosyl-(1→4)-β-D-cymaropyranoside | 1253188-29-2

• 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: qingyangshengenin 3-O-β-D-oleandropyranosyl-(1→4)-β-D-oleandropyranosyl-(1→4)-β-D-cymaropyranoside
• 英文别名: qinyangshengenin-3-O-β-D-oleandropyranosyl-(1->4)-β-D-oleandropyranosyl-(1->4)-β-D-cymaropyranoside；[(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-8,14,17-trihydroxy-3-[(2R,4S,5R,6R)-5-[(2S,4R,5R,6R)-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-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] 4-hydroxybenzoate
• CAS: 1253188-29-2
• 化学式: C₄₉H₇₂O₁₇
• 分子量: 933.1
• InChiKey: RSTNGBYEJQYFEJ-ZLNGJIAVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  66
• 可旋转键数：
  13
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  228
• 氢给体数：
  5
• 氢受体数：
  17

反应信息

• 作为反应物：
  描述：

  qingyangshengenin 3-O-β-D-oleandropyranosyl-(1→4)-β-D-oleandropyranosyl-(1→4)-β-D-cymaropyranoside 在 硫酸 作用下， 以 甲醇 为溶剂， 反应 0.25h， 生成 D-cymarose 、 D-oleandropyranose 、 D-cymarose
  参考文献：
  名称：

  Steroidal glycosides with anti-tumor activity from the roots ofCynanchum wallichiiWight

  摘要：

  Two new steroidal glycosides characterized with 2,6-dideoxypyranoses as component sugars have been isolated from roots of Cynanchum wallichii Wight. Their structure elucidation and cytotoxic activities against HL-60 and PC-3 cells are reported.

  DOI：

  10.1080/10286020.2010.489821

文献信息

• Steroidal glycosides with anti-tumor activity from the roots of<i>Cynanchum wallichii</i>Wight
  作者：Gang Chen、Nan Xu、Zhi-Feng Li、Qi-Hui Zhang、Hong-Hua Wu、Yue-Hu Pei

  DOI：10.1080/10286020.2010.489821

  日期：2010.6

  Two new steroidal glycosides characterized with 2,6-dideoxypyranoses as component sugars have been isolated from roots of Cynanchum wallichii Wight. Their structure elucidation and cytotoxic activities against HL-60 and PC-3 cells are reported.