(25S)-26-O-β-D-glucopyranosyl-5β-furost-22(23)-en-3β,20α,26-triol-3-O-β-D-galactopyranosyl-(1→2)-O-β-D-glucopyranoside

• 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-O-β-D-glucopyranosyl-5β-furost-22(23)-en-3β,20α,26-triol-3-O-β-D-galactopyranosyl-(1→2)-O-β-D-glucopyranoside
• 英文别名: anemarnoside B；(2R,3R,4S,5S,6R)-2-[(2S)-4-[(1R,2S,4S,7S,8R,9S,12S,13S,16S,18R)-16-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-7-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-ylidene]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• 化学式: C₄₅H₇₄O₁₉
• 分子量: 919.071
• InChiKey: IGQGIXAPAZFWCV-URZZGBJKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  64
• 可旋转键数：
  12
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  307
• 氢给体数：
  12
• 氢受体数：
  19

反应信息

• 作为反应物：
  描述：

  (25S)-26-O-β-D-glucopyranosyl-5β-furost-22(23)-en-3β,20α,26-triol-3-O-β-D-galactopyranosyl-(1→2)-O-β-D-glucopyranoside 在 盐酸 作用下， 以 水 为溶剂， 反应 4.0h， 生成 葡萄糖 、 口服葡萄糖
  参考文献：
  名称：

  Steroidal saponins fromAnemarrhena asphodeloides

  摘要：

  Two new steroidal saponins, named anemarnoside A (1) and anemarnoside B (2), along with three known compounds, timosaponin J (3), timosaponin B II (4), and timosaponin B (5), have been isolated from Anemarrhena asphodeloides. Their structures were established by spectroscopic techniques (IR, MS, 1D NMR, and 2D NMR) and by comparison with published data.

  DOI：

  10.1080/10286020.2013.802689

文献信息

• Steroidal saponins from<i>Anemarrhena asphodeloides</i>
  作者：Qing-Bo Liu、Ying Peng、Ling-Zhi Li、Pin-Yi Gao、Yu Sun、Li-Hong Yu、Shao-Jiang Song

  DOI：10.1080/10286020.2013.802689

  日期：2013.8

  Two new steroidal saponins, named anemarnoside A (1) and anemarnoside B (2), along with three known compounds, timosaponin J (3), timosaponin B II (4), and timosaponin B (5), have been isolated from Anemarrhena asphodeloides. Their structures were established by spectroscopic techniques (IR, MS, 1D NMR, and 2D NMR) and by comparison with published data.