3β-hydroxy-5α,6α-epoxy-β-ionone-2α-Oβ-D-glucopyranoside | 420837-16-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3β-hydroxy-5α,6α-epoxy-β-ionone-2α-Oβ-D-glucopyranoside
• 英文别名: (E)-4-[(1S,3R,4R,6R)-4-hydroxy-2,2,6-trimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxabicyclo[4.1.0]heptan-1-yl]but-3-en-2-one
• CAS: 420837-16-7
• 化学式: C₁₉H₃₀O₉
• 分子量: 402.442
• InChiKey: BFLLXOGGWRRMBS-RRDFWYJBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  149
• 氢给体数：
  5
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  3β-hydroxy-5α,6α-epoxy-β-ionone-2α-Oβ-D-glucopyranoside 、 乙酸酐 在 吡啶 作用下， 生成 3β-hydroxy-5α,6α-epoxy-β-ionone-2α-Oβ-D-glucopyranoside peracetate
  参考文献：
  名称：

  Phytochemical Constituents from Salsola tetrandra

  摘要：

  The new norisoprenoid 3 beta-hydroxy-5 alpha,6 alpha-epoxy-beta-ionone-2 alpha-O-beta-D-glucopyranoside ( 1) and the long-chain hydroxy fatty acids 9,12,13-trihydroxyoctadeca-10(E), 15(Z)-dienoic acid ( 2) and 9,12,13-trihydroxyoctadeca-10( E)-dienoic acid ( 3) were isolated from Salsola tetrandra aerial parts, together with 3,4,5-trimethoxyphenyl-beta-D-glucopyranoside ( 4), 9-hydroxylinaloyl glucoside ( 5), taxiphyllin ( 6), trans-N-feruloyltyramine ( 7), and S-(-)-trans-N-feruloyloctopamine ( 8). Their structures were elucidated by extensive spectroscopic analysis and chemical methods. Compounds 6 and 8 displayed mild antibacterial activity against Staphylococcus aureus, whereas compound 6 showed the highest activity in the Artemia salina bioassay.

  DOI：

  10.1021/np060222w