3β,16α-dihydroxy-12-acetoxy-16,22-cyclo-23-ketone-24R,25-epoxy-cycloartane-7-ene-3-O-β-d-xylopyranoside

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 3β,16α-dihydroxy-12-acetoxy-16,22-cyclo-23-ketone-24R,25-epoxy-cycloartane-7-ene-3-O-β-d-xylopyranoside
• 化学式: C₃₇H₅₄O₁₁
• 分子量: 674.829
• InChiKey: GHOWYKNRPKXPBV-MGMAWVNWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.79
• 重原子数：
  48.0
• 可旋转键数：
  5.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  164.51
• 氢给体数：
  4.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  3β,16α-dihydroxy-12-acetoxy-16,22-cyclo-23-ketone-24R,25-epoxy-cycloartane-7-ene-3-O-β-d-xylopyranoside 在 盐酸 作用下， 以 水 为溶剂， 反应 2.0h， 生成 β-半乳糖苷酶
  参考文献：
  名称：

  New 9,19-cycloartenol glycosides isolated from the roots of Cimicifuga simplex and their anti-inflammatory effects

  摘要：

  Two new cycloartenol triterpene saponins, 3 beta,16 alpha-dihydroxy-12-acetoxy-16,22-cyclo-23-ketone-24R, 25-epoxy-cycloartane-3-O-beta-D-galactopyranoside (1), 3 beta, 16 alpha-dihydroxy-12-acetoxy-16,22-cyclo-23-ketone- 24R,25-epoxy-cycloartane-7-ene-3-O-beta-nu-xylopyranoside (2), were isolated from the ethyl acetate soluble fraction of the roots of Cimicifuga simplex Wormsk. Their structures were established by detailed spectroscopic analysis, including extensive 2D NMR data. Their anti-proinflammatory activities were also carried out by LPS-stimulated IL-6, IL-23 and TNF-alpha genes expression in RAW cells in vitro using Q-PCR method. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.10.066

文献信息

• New 9,19-cycloartenol glycosides isolated from the roots of Cimicifuga simplex and their anti-inflammatory effects
  作者：Yang Su、Lun Wu、Qiuhong Wang、Bingyou Yang、Haixue Kuang

  DOI：10.1016/j.bmcl.2014.10.066

  日期：2014.12

  Two new cycloartenol triterpene saponins, 3 beta,16 alpha-dihydroxy-12-acetoxy-16,22-cyclo-23-ketone-24R, 25-epoxy-cycloartane-3-O-beta-D-galactopyranoside (1), 3 beta, 16 alpha-dihydroxy-12-acetoxy-16,22-cyclo-23-ketone- 24R,25-epoxy-cycloartane-7-ene-3-O-beta-nu-xylopyranoside (2), were isolated from the ethyl acetate soluble fraction of the roots of Cimicifuga simplex Wormsk. Their structures were established by detailed spectroscopic analysis, including extensive 2D NMR data. Their anti-proinflammatory activities were also carried out by LPS-stimulated IL-6, IL-23 and TNF-alpha genes expression in RAW cells in vitro using Q-PCR method. (C) 2014 Elsevier Ltd. All rights reserved.