Foetidissimoside A Methyl Ester | 134352-47-9

• 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: Foetidissimoside A Methyl Ester
• CAS: 134352-47-9；138822-72-7
• 化学式: C₅₃H₈₄O₂₂
• 分子量: 1073.24
• InChiKey: CQOWKXHYGFCJHS-RMCZUWILSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.58
• 重原子数：
  75.0
• 可旋转键数：
  9.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  339.74
• 氢给体数：
  11.0
• 氢受体数：
  22.0

反应信息

• 作为产物：
  描述：

  Scaberoside A3 Methyl Ester 在 三氟乙酸 作用下， 以 甲醇 为溶剂， 反应 6.0h， 生成 Foetidissimoside A Methyl Ester
  参考文献：
  名称：

  Studies on the Constituents of Aster scaber THUNB. II. Structures of Echinocystic Acid Glycosides Isolated from the Root.

  摘要：

  从 Aster scaber THUNB.（菊科植物）根的极性苷部分中分离出四种新的棘囊酸 3，28-O-双酯苷，即 scaberosides A1、A2、A3 和 A4，以及紫菀皂苷 Ha、紫菀皂苷 Hb 和 foetidissimoside A，作为它们的甲基酯，并根据光谱和化学证据确定了它们的结构。(根据光谱和化学证据确定了它们的结构。葶苈苷有一个共同的原甙元--棘囊酸 3-O-β-D-吡喃葡萄糖苷元酸，但酯连接的糖分子结构不同。葶苈子苷 A1 是 28-[O-β-D-呋喃硫糖基-(1→3)-O-α-L-吡喃鼠李糖基-(1→2)-α-L-阿拉伯吡喃糖基]酯，A2 是 28-[O-β-D-吡喃木糖基-(1→4)-O-α-L-吡喃鼠李糖基-(1→2)-β-D-吡喃木糖基]酯，A3、一种 28-{O-β-D-apiofuranosyl-(1→3)-[O-β-D-xylopyranosyl-(1→4)-]-O-α-L-rhamnopyranosyl-(1→2)-β-D-xylopyranosyl]酯，A4、a -28-{O-β-D-xylopyranosyl-(1→3)-[O-β-D-xylopyranosyl-(1→3)-O-β-D-xylopyranosyl-(1→4)-]O-α-L-rhamnopyranosyl-(1→2)-β-D-xylopyranosyl} prosapogenin 的酯。

  DOI：

  10.1248/cpb.39.1719

文献信息

• Studies on the Constituents of Aster scaber THUNB. II. Structures of Echinocystic Acid Glycosides Isolated from the Root.
  作者：Tsuneatsu KAGAO、Ryuichiro TANAKA、Haruki SHIMOKAWA、Hikaru OKABE

  DOI：10.1248/cpb.39.1719

  日期：——

  Four new echinocystic acid 3, 28-O-bisdesmosides, scaberosides A1, A2, A3 and A4, were isolated together with aster saponin Ha, aster saponin Hb and foetidissimoside A from the polar glycoside fraction of the root of Aster scaber THUNB. (Compositae) as their methyl esters, and their structures were determined based on spectral and chemical evidence. Scaberosides have a common prosapogenin, echinocystic acid 3-O-β-D-glucopyranosiduronic acid, and differ in the structures of the ester-linked sugar moieties. Scaberoside A1 is a 28-[O-β-D-apiofuranosyl-(1→3)-O-α-L-rhamnopyranosyl-(1→2)-α-L-arabinopyranosyl] ester, A2, a 28-[O-β-D-xylopyranosyl-(1→4)-O-α-L-rhamnopyranosyl-(1→2)-β-D-xylopyranosyl] ester, A3, a 28-O-β-D-apiofuranosyl-(1→3)-[O-β-D-xylopyranosyl-(1→4)-]-O-α-L-rhamnopyranosyl-(1→2)-β-D-xylopyranosyl]ester, A4, a -28-O-β-D-xylopyranosyl-(1→3)-[O-β-D-xylopyranosyl-(1→3)-O-β-D-xylopyranosyl-(1→4)-]-O-α-L-rhamnopyranosyl-(1→2)-β-D-xylopyranosyl} ester of the prosapogenin.

  从 Aster scaber THUNB.（菊科植物）根的极性苷部分中分离出四种新的棘囊酸 3，28-O-双酯苷，即 scaberosides A1、A2、A3 和 A4，以及紫菀皂苷 Ha、紫菀皂苷 Hb 和 foetidissimoside A，作为它们的甲基酯，并根据光谱和化学证据确定了它们的结构。(根据光谱和化学证据确定了它们的结构。葶苈苷有一个共同的原甙元--棘囊酸 3-O-β-D-吡喃葡萄糖苷元酸，但酯连接的糖分子结构不同。葶苈子苷 A1 是 28-[O-β-D-呋喃硫糖基-(1→3)-O-α-L-吡喃鼠李糖基-(1→2)-α-L-阿拉伯吡喃糖基]酯，A2 是 28-[O-β-D-吡喃木糖基-(1→4)-O-α-L-吡喃鼠李糖基-(1→2)-β-D-吡喃木糖基]酯，A3、一种 28-O-β-D-apiofuranosyl-(1→3)-[O-β-D-xylopyranosyl-(1→4)-]-O-α-L-rhamnopyranosyl-(1→2)-β-D-xylopyranosyl]酯，A4、a -28-O-β-D-xylopyranosyl-(1→3)-[O-β-D-xylopyranosyl-(1→3)-O-β-D-xylopyranosyl-(1→4)-]O-α-L-rhamnopyranosyl-(1→2)-β-D-xylopyranosyl} prosapogenin 的酯。