(25S)-26-(β-D-glucopyranosyloxy)-3-oxo-5α-furost-20(22)-en-6α-yl-O-β-D-xylopyranoside

• 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: (25S)-26-(β-D-glucopyranosyloxy)-3-oxo-5α-furost-20(22)-en-6α-yl-O-β-D-xylopyranoside
• 化学式: C₃₉H₆₂O₁₃
• 分子量: 738.913
• InChiKey: CTHNZWSNNDXUCR-SEEIYERGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.55
• 重原子数：
  52.0
• 可旋转键数：
  9.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  204.83
• 氢给体数：
  7.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  (25S)-26-(β-D-glucopyranosyloxy)-3-oxo-5α-furost-20(22)-en-6α-yl-O-β-D-xylopyranoside 在 水 、 三氟乙酸 作用下， 反应 3.0h， 生成 D-吡喃木糖 、 D-葡萄糖
  参考文献：
  名称：

  Steroidal saponins from the fruits of Solanum torvum

  摘要：

  Seven steroidal glycosides have been isolated from the fruits of Solanum torvum Swartz. Their structures were established by 2D NMR spectroscopic techniques (H-1,H-1-COSY, TOCSY, NOESY, HSQC, and HMBC) and mass spectrometry as (25S)-26-(beta-D-glucopyranosyloxy)-3-oxo-5 alpha-furost-20 (22)-en-6 alpha-yl-O-beta-D-xylopyranoside (1), (25S)-26-(beta-D-glucopyranosyloxy)-3-oxo-22 alpha-methoxy-5 alpha-furostan-6 alpha-yl-O-beta-D-xylopyranoside (2), (25S)-26-(beta-D-glucopyranosyloxy)-3 beta-hydroxy-22 alpha-methoxy-5 alpha-furostan-6 alpha-yl-O-alpha-L-rhamnopyranosyl-(1 -> 3)-beta-D-glucopyranoside (3), (25S)-3 beta-hydroxy-5 alpha-spirostan-6 alpha-yl-O-beta-D-xylopyranoside (4), (25S)-3-oxo-5 alpha-spirostan-6 alpha-yl-O-beta-D-xylopyranoside (5), (25S)-3 beta-hydroxy-5 alpha-spirostan-6 alpha-yl-O-beta-D-glucopyranoside (6), (25S)-3 beta,27-dihydroxy-5 alpha-spirostan-6 alpha-yl-O-beta-D-glucopyranoside (7). (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2012.10.010