2-O-β-D-glucosyltrideca-3E,11E-dien-5,7,9-triyn-1,2,13-triol | 142928-28-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-O-β-D-glucosyltrideca-3E,11E-dien-5,7,9-triyn-1,2,13-triol
• 英文别名: (3E,11E)-tridecadiene-6,8,10-triyne-1,13-diol-2-O-β-D-glucopyranoside；2-O-β-D-glucosyltrideca-(3E,11E)-dien-5,7,9-triyne-1,2,13-triol；(2R,3R,4S,5S,6R)-2-[(3E,11E)-1,13-dihydroxytrideca-3,11-dien-5,7,9-triyn-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• CAS: 142928-28-7
• 化学式: C₁₉H₂₂O₈
• 分子量: 378.379
• InChiKey: OMZZZQVIHAHEOK-KIJMVZGZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  140
• 氢给体数：
  6
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 2-O-β-D-glucosyltrideca-3E,11E-dien-5,7,9-triyn-1,2,13-triol 在 吡啶 作用下， 反应 24.0h， 生成 Acetic acid (2R,3R,4S,5R,6R)-3,5-diacetoxy-2-((2E,10E)-12-acetoxy-1-acetoxymethyl-dodeca-2,10-diene-4,6,8-triynyloxy)-6-acetoxymethyl-tetrahydro-pyran-4-yl ester
  参考文献：
  名称：

  Four polyacetylene glucosides from Bidens campylotheca

  摘要：

  Four new polyacetylene glucosides 2-O-beta-D-glucosyltrideca-3E,11E-dien-5,7,9-triyn-1,2,13-triol; 2-O-beta-D-glucosyltrideca-3E,11E-dien-5,7,9-triyn-1,2-diol; 2-O-beta-D-glucosyltrideca-3E,11Z-dien-5,7,9-triyn-1,2-diol and 2-O-beta-D-glucosyltrideca-11E-en-3,5,7,9-tetrayn-1,2-diol have 2-O-beta-D-glucosyltrideca-11E-en-3,5,7,9-tetrayn-1,2-diol have been isolated from the aerial parts of Bidens campylotheca. The structures were determined by means of UV, MS, H-1 NMR, C-13 NMR and COSY-NMR.

  DOI：

  10.1016/0031-9422(92)80357-k

文献信息

• Four polyacetylene glucosides from Bidens campylotheca
  作者：Rudolf Bauer、Karl Redl、Brent Davis

  DOI：10.1016/0031-9422(92)80357-k

  日期：1992.6

  Four new polyacetylene glucosides 2-O-beta-D-glucosyltrideca-3E,11E-dien-5,7,9-triyn-1,2,13-triol; 2-O-beta-D-glucosyltrideca-3E,11E-dien-5,7,9-triyn-1,2-diol; 2-O-beta-D-glucosyltrideca-3E,11Z-dien-5,7,9-triyn-1,2-diol and 2-O-beta-D-glucosyltrideca-11E-en-3,5,7,9-tetrayn-1,2-diol have 2-O-beta-D-glucosyltrideca-11E-en-3,5,7,9-tetrayn-1,2-diol have been isolated from the aerial parts of Bidens campylotheca. The structures were determined by means of UV, MS, H-1 NMR, C-13 NMR and COSY-NMR.