3-O-β-D-xylopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl]siaresinolic acid 28-O-β-D-glucopyranoside | 1244548-38-6

• 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-xylopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl]siaresinolic acid 28-O-β-D-glucopyranoside
• 英文别名: catunaroside D；Catunaroside；[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1-hydroxy-10-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
• CAS: 1244548-38-6
• 化学式: C₅₃H₈₆O₂₃
• 分子量: 1091.25
• InChiKey: WDXHUBXAQHLOJE-WFWWCDJVSA-N

物化性质

• 密度：
  1.48±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  76
• 可旋转键数：
  12
• 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-β-D-xylopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl]siaresinolic acid 28-O-β-D-glucopyranoside 在 盐酸 作用下， 以 水 为溶剂， 反应 8.0h， 生成 D-木糖 、 葡萄糖
  参考文献：
  名称：

  Triterpenoid saponins with antifeedant activities from stem bark of Catunaregam spinosa (Rubiaceae) against Plutella xylostella (Plutellidae)

  摘要：

  Seven triterpenoid saponins, including four new compounds, catunarosides A-D (1-4), and three known compounds, swartziatrioside (5), aralia-saponin V (6), araliasaponin IV (7) were isolated from the stem bark of Catunaregam spinosa, a Chinese mangrove associate. Their structures were elucidated on the basis of their spectral data and hydrolysis experiments. The antifeedant activities of compounds 1-7 against Plutella xylostella were also evaluated. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2011.07.022

文献信息

• Triterpenoid saponins with antifeedant activities from stem bark of Catunaregam spinosa (Rubiaceae) against Plutella xylostella (Plutellidae)
  作者：Guangchun Gao、Zhongxian Lu、Shuhong Tao、Si Zhang、Fazuo Wang

  DOI：10.1016/j.carres.2011.07.022

  日期：2011.10

  Seven triterpenoid saponins, including four new compounds, catunarosides A-D (1-4), and three known compounds, swartziatrioside (5), aralia-saponin V (6), araliasaponin IV (7) were isolated from the stem bark of Catunaregam spinosa, a Chinese mangrove associate. Their structures were elucidated on the basis of their spectral data and hydrolysis experiments. The antifeedant activities of compounds 1-7 against Plutella xylostella were also evaluated. (C) 2011 Elsevier Ltd. All rights reserved.