batatoside I | 1137099-34-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: batatoside I
• 英文别名: [(2S,3R,4R,5R,6S)-4-hydroxy-2-methyl-6-[(2S,3S,4R,5R,6S)-2-methyl-5-[(2S)-2-methylbutanoyl]oxy-6-[[(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,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-5-[(E)-3-phenylprop-2-enoyl]oxyoxan-3-yl] dodecanoate
• CAS: 1137099-34-3
• 化学式: C₇₂H₁₁₆O₂₆
• 分子量: 1397.7
• InChiKey: HCFVYOSURRDCQF-AXYHOGGHSA-N

物化性质

• 沸点：
  1247.5±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)：
  10.4
• 重原子数：
  98
• 可旋转键数：
  31
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  359
• 氢给体数：
  8
• 氢受体数：
  26

反应信息

• 作为反应物：
  描述：

  batatoside I 在 氢氧化钾 、 水 作用下， 反应 2.0h， 生成 月桂酸 、 (S)-(+)-2-甲基丁酸 、 肉桂酸 、 (11S)-jalapinolic acid 11-O-β-D-glucopyranosyl-(1->3)-O-[α-L-rhamnopyranosyl-(1->4)]-O-[α-L-rhamnopyranosyl-(1->4)]-O-[α-L-rhamnopyranosyl-(1->2)]-β-D-fucopyranoside
  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