batatoside P | 1137099-41-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: batatoside P
• 英文别名: [(2S,3R,4R,5S,6S)-5-[(2S,3R,4R,5R,6S)-4-hydroxy-6-methyl-5-(2-methylpropanoyloxy)-3-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]oxy-6-methyl-2-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] decanoate
• CAS: 1137099-41-2
• 化学式: C₆₉H₁₁₀O₂₅
• 分子量: 1339.62
• InChiKey: MJXBBLYZSBNTRK-YZTRMOLNSA-N

物化性质

• 沸点：
  1208.7±65.0 °C(predicted)
• 密度：
  1.27±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.5
• 重原子数：
  94
• 可旋转键数：
  27
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  339
• 氢给体数：
  7
• 氢受体数：
  25

反应信息

• 作为反应物：
  描述：

  batatoside P 在 氢氧化钾 、 水 作用下， 反应 2.0h， 生成 正癸酸 、 肉桂酸 、 simonic acid B 、 异丁酸
  参考文献：
  名称：

  Novel acylated lipo-oligosaccharides from the tubers of Ipomoea batatas

  摘要：

  Nine new lipo-oligosaccharides, batatosides H-P, were isolated from the tubers of Ipomoea batatas (Convolvulaceae). Spectral and chemical methods allowed to characterize them as tetra- or penta-saccharides that form a macrolactone with the aglycone, (11S)-hydroxyhexadecanoic acid (jalapinolic acid), the absolute configuration of which was established by Mosher's method. Batatosides L and O showed a weak inhibitory effect on the growth of Hep-2 cells, while the others proved to be inactive. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2008.12.022

文献信息

• Novel acylated lipo-oligosaccharides from the tubers of Ipomoea batatas
  作者：Yong-Qin Yin、Jun-Song Wang、Jian-Guang Luo、Ling-Yi Kong

  DOI：10.1016/j.carres.2008.12.022

  日期：2009.3

  Nine new lipo-oligosaccharides, batatosides H-P, were isolated from the tubers of Ipomoea batatas (Convolvulaceae). Spectral and chemical methods allowed to characterize them as tetra- or penta-saccharides that form a macrolactone with the aglycone, (11S)-hydroxyhexadecanoic acid (jalapinolic acid), the absolute configuration of which was established by Mosher's method. Batatosides L and O showed a weak inhibitory effect on the growth of Hep-2 cells, while the others proved to be inactive. (C) 2009 Elsevier Ltd. All rights reserved.