paeoniflorin B | 1415091-25-6

• 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: paeoniflorin B
• 英文别名: Paeoniflorin B；[(2R,3S,4R,5R,6S)-6-[[(1R,2S,3R,5R,6R,8S)-2-(benzoyloxymethyl)-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl benzoate
• CAS: 1415091-25-6
• 化学式: C₃₆H₄₂O₁₇
• 分子量: 746.719
• InChiKey: QREQQDSOBGSTFM-XXBRTPTLSA-N

物化性质

• 密度：
  1.63±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  53
• 可旋转键数：
  13
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  250
• 氢给体数：
  7
• 氢受体数：
  17

反应信息

• 作为反应物：
  描述：

  paeoniflorin B 在 盐酸 作用下， 以 水 为溶剂， 反应 2.0h， 生成 D-葡萄糖
  参考文献：
  名称：

  New monoterpene glycosides from Paeonia suffruticosa Andrews and their inhibition on NO production in LPS-induced RAW 264.7 cells

  摘要：

  Nine new monoterpene glycosides (1-9), together with 18 known compounds were obtained from the n-butanol soluble fraction of ethanol extract from Paeonia suffruticosa Andrews. Their structures were determined on the basis of chemical methods and spectroscopic data. The inhibitory effects of these compounds (except compound 6) on nitric oxide (NO) production in lipopolysaccharide-activated macrophages were evaluated. Compounds 1, 21, 23, 25, and 27 showed strong inhibitory activity on NO production with IC50 values of 31.25, 36.13, 12.41, 6.87, and 41.94 mu M, respectively. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.09.034

文献信息

• New monoterpene glycosides from Paeonia suffruticosa Andrews and their inhibition on NO production in LPS-induced RAW 264.7 cells
  作者：Liqin Ding、Feng Zhao、Lixia Chen、Zhihu Jiang、Yue Liu、Zhuomin Li、Feng Qiu、Xinsheng Yao

  DOI：10.1016/j.bmcl.2012.09.034

  日期：2012.12

  Nine new monoterpene glycosides (1-9), together with 18 known compounds were obtained from the n-butanol soluble fraction of ethanol extract from Paeonia suffruticosa Andrews. Their structures were determined on the basis of chemical methods and spectroscopic data. The inhibitory effects of these compounds (except compound 6) on nitric oxide (NO) production in lipopolysaccharide-activated macrophages were evaluated. Compounds 1, 21, 23, 25, and 27 showed strong inhibitory activity on NO production with IC50 values of 31.25, 36.13, 12.41, 6.87, and 41.94 mu M, respectively. (C) 2012 Elsevier Ltd. All rights reserved.