matesaponin 5 | 178330-60-4

• 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: matesaponin 5
• 英文别名: O-I(2)-D-Glucopyranosyl-(1a4)-O-I(2)-D-glucopyranosyl-(1a6)-I(2)-D-glucopyranosyl (3I(2))-3-[(O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[I(2)-D-glucopyranosyl-(1a3)]-I+/--L-arabinopyranosyl)oxy]urs-12-en-28-oate；[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-5-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
• CAS: 178330-60-4
• 化学式: C₆₅H₁₀₆O₃₁
• 分子量: 1383.54
• InChiKey: KQIHCENNAZOODK-WQPGOZKPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3
• 重原子数：
  96
• 可旋转键数：
  17
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  492
• 氢给体数：
  18
• 氢受体数：
  31

反应信息

• 作为反应物：
  描述：

  matesaponin 5 生成 patrinia-glycoside B-I
  参考文献：
  名称：

  Matesaponin 5，一种来自巴拉圭冬青的高极性皂苷

  摘要：

  matesaponin 5 是一种从 Ilex paraguariensis 叶子中分离的新型皂苷，其结构被确定为熊果酸-3-0-{β-D-吡喃葡萄糖基-(1->3)-[α-L-rhamnopyranosyl-( 1->2)]-α-L-阿拉伯吡喃糖基}-(28->1)-β-D-吡喃葡萄糖基-(1->4)-β-D-吡喃葡萄糖基-(1->6)-β- D-吡喃葡萄糖基]酯。

  DOI：

  10.1016/0031-9422(96)00036-2

文献信息

• Matesaponin 5, a highly polar saponin from Ilex paraguariensis
  作者：Katia H. Kraemer、Alexandre T.C. Taketa、Eloir P. Schenkel、Grace Gosmann、Dominique Guillaume

  DOI：10.1016/0031-9422(96)00036-2

  日期：1996.7

  The structure of matesaponin 5, a novel saponin isolated from the leaves of the Ilex paraguariensis, was established as ursolic acid-3-0-beta-D-glucopyranosyl-(1->3)-[alpha-L-rhamnopyranosyl-(1->2)]-alpha-L- arabino pyranosyl}-(28->1)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1 ->6)-beta-D-glucopyranosyl] ester.

  matesaponin 5 是一种从 Ilex paraguariensis 叶子中分离的新型皂苷，其结构被确定为熊果酸-3-0-β-D-吡喃葡萄糖基-(1->3)-[α-L-rhamnopyranosyl-( 1->2)]-α-L-阿拉伯吡喃糖基}-(28->1)-β-D-吡喃葡萄糖基-(1->4)-β-D-吡喃葡萄糖基-(1->6)-β- D-吡喃葡萄糖基]酯。