3-O-<β-D-Apiofuranosyl(1->3)>-β-D-glucopyranosyl-2β,3β,6β,16α,23-pentahydroxyolean-12-en-28-oic acid 28-O-<α-L-rhamnopyranosyl(1->3)><β-D-xylopyranosyl(1->4)><α-L-rhamnopyranosyl(1->2)>-α-L-arabinopyranoside | 132023-47-3

• 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-Apiofuranosyl(1->3)>-β-D-glucopyranosyl-2β,3β,6β,16α,23-pentahydroxyolean-12-en-28-oic acid 28-O-<α-L-rhamnopyranosyl(1->3)><β-D-xylopyranosyl(1->4)><α-L-rhamnopyranosyl(1->2)>-α-L-arabinopyranoside
• 英文别名: 3-O-[β-D-Apiofuranosyl(1->3)]-β-D-glucopyranosyl-2β,3β,6β,16α,23-pentahydroxyolean-12-en-28-oic acid 28-O-[α-L-rhamnopyranosyl(1->3)][β-D-xylopyranosyl(1->4)][α-L-rhamnopyranosyl(1->2)]-α-L-arabinopyranoside；[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8R,8aR,9R,10R,11S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,8,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
• CAS: 132023-47-3
• 化学式: C₆₃H₁₀₂O₃₂
• 分子量: 1371.48
• InChiKey: AXXXUGZJWDXYMR-WOMWAMOOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.9
• 重原子数：
  95
• 可旋转键数：
  16
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  512
• 氢给体数：
  19
• 氢受体数：
  32

反应信息

• 作为反应物：
  描述：

  甲醇 、 3-O-<β-D-Apiofuranosyl(1->3)>-β-D-glucopyranosyl-2β,3β,6β,16α,23-pentahydroxyolean-12-en-28-oic acid 28-O-<α-L-rhamnopyranosyl(1->3)><β-D-xylopyranosyl(1->4)><α-L-rhamnopyranosyl(1->2)>-α-L-arabinopyranoside 在 sodium methylate 作用下， 以15 mg的产率得到
  参考文献：
  名称：

  Saponins from Crossopteryx febrifuga

  摘要：

  DOI：

  10.1016/0031-9422(90)85201-p

文献信息

• Saponins from Crossopteryx febrifuga
  作者：Pierluigi Gariboldi、Luisella Verotta、Bruno Gabetta

  DOI：10.1016/0031-9422(90)85201-p

  日期：1990.1