3-O-[α-L-rhamnopyranosyl-(1->4)-β-D-glucuronopyranosyl]echinocystic acid

• 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-[α-L-rhamnopyranosyl-(1->4)-β-D-glucuronopyranosyl]echinocystic acid
• 英文别名: echinocystic acid 3-O-α-L-rhamnopyranosyl(1->4)-O-β-D-glucuronopyranoside；(2S,3S,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-carboxy-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid
• 化学式: C₄₂H₆₆O₁₄
• 分子量: 794.978
• InChiKey: RLADGUJQCAQKPZ-YQNCADFESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  56
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  233
• 氢给体数：
  8
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  3-O-[α-L-rhamnopyranosyl-(1->4)-β-D-glucuronopyranosyl]echinocystic acid 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.0h， 生成 刺囊酸
  参考文献：
  名称：

  鹅掌楸中的三萜皂苷

  摘要：

  从鹅掌柴的叶和茎中分离出九种三萜皂苷。根据化学和光谱证据，皂苷被表征为 3-O-[α-L-吡喃鼠李糖基-(1-->4)-β-D-吡喃葡萄糖基]齐墩果酸，3-O-[α- L-rhamnopyranosyl-(1-->4)-beta-D-glucuronopyranosyl] echinocystic acid, 3-O-[beta-D-apiofuranosyl-(1-->4)-beta-D-glucuronopyranosyl] 齐墩果酸 28- O-β-D-吡喃葡萄糖基酯，3-O-α-L-吡喃葡萄糖基-(1-->4)-[α-L-阿拉伯吡喃糖基-(1-->2)-]β-D-吡喃葡萄糖基齐墩果酸, 3-O-α-L-吡喃鼠李糖基-(1-->4)-[α-L-阿拉伯吡喃糖基-(1-->2)-]β-D-吡喃葡萄糖基齐墩果酸28-O-β-D-吡喃葡萄糖基酯，3-O-α-L-吡喃鼠李糖基-(1-->4)-

  DOI：

  10.1016/s0031-9422(03)00117-1

文献信息

• Triterpenoid saponins from Schefflera arboricola
  作者：F.R. Melek、Toshio Miyase、S.M. Abdel Khalik、M.R. El-Gindi

  DOI：10.1016/s0031-9422(03)00117-1

  日期：2003.6

  Nine triterpenoid saponins were isolated from the leaves and stems of Schefflera arboricola. The saponins were characterised, on the basis of chemical and spectral evidence, as 3-O-[alpha-L-rhamnopyranosyl-(1-->4)-beta-D-glucuronopyranosyl] oleanolic acid, 3-O-[alpha-L-rhamnopyranosyl-(1-->4)-beta-D-glucuronopyranosyl] echinocystic acid, 3-O-[beta-D-apiofuranosyl-(1-->4)-beta-D-glucuronopyranosyl]

  从鹅掌柴的叶和茎中分离出九种三萜皂苷。根据化学和光谱证据，皂苷被表征为 3-O-[α-L-吡喃鼠李糖基-(1-->4)-β-D-吡喃葡萄糖基]齐墩果酸，3-O-[α- L-rhamnopyranosyl-(1-->4)-beta-D-glucuronopyranosyl] echinocystic acid, 3-O-[beta-D-apiofuranosyl-(1-->4)-beta-D-glucuronopyranosyl] 齐墩果酸 28- O-β-D-吡喃葡萄糖基酯，3-O-α-L-吡喃葡萄糖基-(1-->4)-[α-L-阿拉伯吡喃糖基-(1-->2)-]β-D-吡喃葡萄糖基齐墩果酸, 3-O-α-L-吡喃鼠李糖基-(1-->4)-[α-L-阿拉伯吡喃糖基-(1-->2)-]β-D-吡喃葡萄糖基齐墩果酸28-O-β-D-吡喃葡萄糖基酯，3-O-α-L-吡喃鼠李糖基-(1-->4)-