24R-cycloartan-3β,6α,16β,24,25-pentaol 6,16,25-tri-O-β-D-glucopyranoside 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: 24R-cycloartan-3β,6α,16β,24,25-pentaol 6,16,25-tri-O-β-D-glucopyranoside 3-O-β-D-xylopyranoside
• 英文别名: cyclostipuloside E；(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-15-[(2R,5R)-5-hydroxy-6-methyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-7,7,12,16-tetramethyl-14-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxane-3,4,5-triol
• 化学式: C₅₃H₉₀O₂₄
• 分子量: 1111.28
• InChiKey: AFYCRSVRZJCGCA-KPYBXWLUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.7
• 重原子数：
  77
• 可旋转键数：
  16
• 环数：
  9.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  398
• 氢给体数：
  16
• 氢受体数：
  24

反应信息

• 作为反应物：
  描述：

  24R-cycloartan-3β,6α,16β,24,25-pentaol 6,16,25-tri-O-β-D-glucopyranoside 3-O-β-D-xylopyranoside 在 硫酸 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以10 mg的产率得到cycloasgenin C
  参考文献：
  名称：

  Triterpene Glycosides from Tragacantha stipulosa and Their Genins. Structure of Cyclostipuloside E

  摘要：

  The known compound trojanoside A (1) and a new cycloartane glycoside cyclostipuloside E (2) were isolated from the aerial parts of Tragacantha stipulosa Bofiss. The structure of cyclostipuloside E was proposed as 24R-cycloartan-3beta,6alpha,16beta,24,25-pentaol 6,16,25-tri-O-beta-D-glucopyranoside 3-O-beta-D-xylopyranoside based on physicochemical data and chemical transformations.

  DOI：

  10.1023/b:conc.0000025463.46079.8f

文献信息

• Triterpene Glycosides from Tragacantha stipulosa and Their Genins. Structure of Cyclostipuloside E
  作者：T. N. Kaipnazarov、K. K. Uteniyazov、Z. Saatov

  DOI：10.1023/b:conc.0000025463.46079.8f

  日期：2004.1

  The known compound trojanoside A (1) and a new cycloartane glycoside cyclostipuloside E (2) were isolated from the aerial parts of Tragacantha stipulosa Bofiss. The structure of cyclostipuloside E was proposed as 24R-cycloartan-3beta,6alpha,16beta,24,25-pentaol 6,16,25-tri-O-beta-D-glucopyranoside 3-O-beta-D-xylopyranoside based on physicochemical data and chemical transformations.