3-O-α-L-rhamnopyranosyl-(1->4)-β-D-glucopyranosyl 23-hydroxyurs-12-en-oic acid 28-O-β-D-galactopyranosyl-(1->6)-β-D-glucopyranosyl ester | 1154519-76-2

• 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-α-L-rhamnopyranosyl-(1->4)-β-D-glucopyranosyl 23-hydroxyurs-12-en-oic acid 28-O-β-D-galactopyranosyl-(1->6)-β-D-glucopyranosyl ester
• 英文别名: arboreaside B；[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
• CAS: 1154519-76-2
• 化学式: C₅₄H₈₈O₂₃
• 分子量: 1105.28
• InChiKey: SQXFHRHOUUXISQ-DZKANNFJSA-N

物化性质

• 密度：
  1.47±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  77
• 可旋转键数：
  13
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  374
• 氢给体数：
  14
• 氢受体数：
  23

反应信息

• 作为反应物：
  描述：

  3-O-α-L-rhamnopyranosyl-(1->4)-β-D-glucopyranosyl 23-hydroxyurs-12-en-oic acid 28-O-β-D-galactopyranosyl-(1->6)-β-D-glucopyranosyl ester 在 水 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 L-鼠李糖 、 葡萄糖 、 口服葡萄糖
  参考文献：
  名称：

  Arboreasides A−E, Triterpene Saponins from the Bark of Cussonia arborea

  摘要：

  Five new triterpene saponins, arboreasides A-E (1-5), and two known saponins, ciwujianoside C-3 and 23-hydroxyursolic acid 28-O-(X-L-rhamnopyranosyl-(1 -> 4)-beta-D-glucopyranosyl-(1 -> 6)-beta-D-glucopyranosyl ester, were isolated from the bark of Cussonia arborea. The structures were established using extensive I D and 2D NMR spectroscopic analyses and mass spectrometry.

  DOI：

  10.1021/np8008094

文献信息

• Arboreasides A−E, Triterpene Saponins from the Bark of <i>Cussonia arborea</i>
  作者：Guy B. Kougan、Tomofumi Miyamoto、Jean-François Mirjolet、Olivier Duchamp、Beibam L. Sondengam、Marie-Aleth Lacaille-Dubois

  DOI：10.1021/np8008094

  日期：2009.6.26

  Five new triterpene saponins, arboreasides A-E (1-5), and two known saponins, ciwujianoside C-3 and 23-hydroxyursolic acid 28-O-(X-L-rhamnopyranosyl-(1 -> 4)-beta-D-glucopyranosyl-(1 -> 6)-beta-D-glucopyranosyl ester, were isolated from the bark of Cussonia arborea. The structures were established using extensive I D and 2D NMR spectroscopic analyses and mass spectrometry.