(25R)-26-O-β-D-glucopyranosyl-20,22-seco-5β-furost-22-one-3β,26-diol-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: (25R)-26-O-β-D-glucopyranosyl-20,22-seco-5β-furost-22-one-3β,26-diol-3-O-β-D-galactopyranosyl-(1→2)-O-β-D-glucopyranoside
• 英文别名: anemarnoside A；[(3S,5R,8R,9S,10S,13S,14S,16S,17R)-3-[(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-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl] (4R)-4-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoate
• 化学式: C₄₅H₇₆O₁₉
• 分子量: 921.087
• InChiKey: VQHQHKUEMHCKCV-HYKUEFTFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  64
• 可旋转键数：
  16
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.98
• 拓扑面积：
  304
• 氢给体数：
  11
• 氢受体数：
  19

反应信息

• 作为反应物：
  描述：

  (25R)-26-O-β-D-glucopyranosyl-20,22-seco-5β-furost-22-one-3β,26-diol-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.