3'-O-β-D-glucopyranosyl 10-hydroxyligustroside | 97695-01-7

• 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: 3'-O-β-D-glucopyranosyl 10-hydroxyligustroside
• 英文别名: hiiragilide；methyl (4S,5E,6S)-6-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-(2-hydroxyethylidene)-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-4H-pyran-3-carboxylate
• CAS: 97695-01-7
• 化学式: C₃₁H₄₂O₁₈
• 分子量: 702.664
• InChiKey: CMMWABVLUQFPHC-OROYPFSVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.9
• 重原子数：
  49
• 可旋转键数：
  15
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  281
• 氢给体数：
  9
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  3'-O-β-D-glucopyranosyl 10-hydroxyligustroside 、 乙酸酐 在 吡啶 作用下， 以2.0 mg的产率得到
  参考文献：
  名称：

  Secoiridoid Di-glycosides from Osmanthus ilicifolius

  摘要：

  Four new secoiridoid di-glycosides, 3'-O-beta-D-glucopyranosyl ligustroside (1), 3'-O-beta-D-glucopyranosyl 10-acetoxyligustroside (2), 3'-O-beta-D-glucopyranosyl oleuropein (3) and 3'-O-beta-D-glucopyranosyl 10-acetoxyoleuropein (4) were isolated from the leaves of Osmanthus ificifolius. Their structures were established on the basis of chemical and spectral data. Furthermore, the structure of hiiragilide, previously elucidated to be 2'-O-beta-D-glucopyranosyl 10-hydroxyligustroside, was revised as 3'-O-beta-D-glucopyranosyl 10-hydroxyligustroside (5).

  DOI：

  10.3987/com-08-s(f)3