3-O-<β-D-xylopyranosyl-(1-2)-α-L-arabinopyranosyl-(1-6)><β-D-glucopyranosyl-(1-4)>-2-acetamido-2-deoxy-β-D-glucopyranosyl-28-O-<β-D-apiofuranosyl-(1-3)-β-D-xylopyranosyl-(1-2)><(2-O-acetoxyl)-β-D-glucopyranosyl-(1-4)>(6-O(R)(-)-2,6-dimethyl-2...)

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 3-O-<β-D-xylopyranosyl-(1-2)-α-L-arabinopyranosyl-(1-6)><β-D-glucopyranosyl-(1-4)>-2-acetamido-2-deoxy-β-D-glucopyranosyl-28-O-<β-D-apiofuranosyl-(1-3)-β-D-xylopyranosyl-(1-2)><(2-O-acetoxyl)-β-D-glucopyranosyl-(1-4)>(6-O(R)(-)-2,6-dimethyl-2...)
• 英文别名: 3-O-(β-D-xylopyranosyl-(1-2)-α-L-arabinopyranosyl-(1-6))(β-D-glucopyranosyl-(1-4))-2-acetamido-2-deoxy-β-D-glucopyranosyl-28-O-(β-D-apiofuranosyl-(1-3)-β-D-xylopyranosyl-(1-2))[(2-O-acetoxyl)-β-D-glucopyranosyl-(1-4)](6-O(R)(-)-2,6-dimethyl-2...)；[(2S,3R,4S,5S,6R)-5-[(2S,3R,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-[[(2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dienoyl]oxymethyl]oxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3-acetamido-6-[[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
• 化学式: C₈₈H₁₃₉NO₄₃
• 分子量: 1899.05
• InChiKey: NIOYYWCFXFCIIN-BSMRAXQZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.8
• 重原子数：
  132
• 可旋转键数：
  32
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  671
• 氢给体数：
  22
• 氢受体数：
  43

反应信息

• 作为反应物：
  描述：

  3-O-<β-D-xylopyranosyl-(1-2)-α-L-arabinopyranosyl-(1-6)><β-D-glucopyranosyl-(1-4)>-2-acetamido-2-deoxy-β-D-glucopyranosyl-28-O-<β-D-apiofuranosyl-(1-3)-β-D-xylopyranosyl-(1-2)><(2-O-acetoxyl)-β-D-glucopyranosyl-(1-4)>(6-O(R)(-)-2,6-dimethyl-2...) 在 硫酸 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以52 mg的产率得到刺囊酸
  参考文献：
  名称：

  Entada saponin-III, a saponin isolated from the bark of Entada phaseoloides

  摘要：

  DOI：

  10.1016/s0031-9422(00)83592-x