(25R)-26-O-β-D-glucopyranosyl-5-enefurostan-2-one-3α,22α,26-triol-3-O-α-L-rhamnopyranosyl-(1->4)-α-L-rhamnopyranosyl-(1->2)-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-5-enefurostan-2-one-3α,22α,26-triol-3-O-α-L-rhamnopyranosyl-(1->4)-α-L-rhamnopyranosyl-(1->2)-β-D-glucopyranoside
• 英文别名: fistulosaponin C；(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-16-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-15-one
• 化学式: C₅₁H₈₂O₂₃
• 分子量: 1063.2
• InChiKey: ZHCOQEJRYQKMCC-BKZUPUIHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.7
• 重原子数：
  74
• 可旋转键数：
  14
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  363
• 氢给体数：
  13
• 氢受体数：
  23

反应信息

• 作为反应物：
  描述：

  (25R)-26-O-β-D-glucopyranosyl-5-enefurostan-2-one-3α,22α,26-triol-3-O-α-L-rhamnopyranosyl-(1->4)-α-L-rhamnopyranosyl-(1->2)-β-D-glucopyranoside 在 盐酸 、 水 作用下， 反应 1.0h， 生成 L-鼠李糖 、 葡萄糖 、
  参考文献：
  名称：

  Anti-ischemia Steroidal Saponins from the Seeds of Allium fistulosum

  摘要：

  Six new furostanol saponins (1-6), named fistulosaponins A-F, three known furostanol saponins (7-9), and seven known aromatic compounds were isolated from seeds of Welsh onion (Allium fistulosum). The structures of these compounds were characterized by spectroscopic analyses including 2D NMR spectroscopy, mass spectrometry, and acid hydrolysis. The protective effect of the saponins on hypoxia-induced human umbilical vein endothelial cell injury was evaluated.

  DOI：

  10.1021/np900815p

文献信息

• Anti-ischemia Steroidal Saponins from the Seeds of <i>Allium fistulosum</i>
  作者：Wei Lai、Zhijun Wu、Houwen Lin、Tiejun Li、Lianna Sun、Yifeng Chai、Wansheng Chen

  DOI：10.1021/np900815p

  日期：2010.6.25

  Six new furostanol saponins (1-6), named fistulosaponins A-F, three known furostanol saponins (7-9), and seven known aromatic compounds were isolated from seeds of Welsh onion (Allium fistulosum). The structures of these compounds were characterized by spectroscopic analyses including 2D NMR spectroscopy, mass spectrometry, and acid hydrolysis. The protective effect of the saponins on hypoxia-induced human umbilical vein endothelial cell injury was evaluated.