2-O-β-D-glucopyranosyl-benzyl-2,6-dimethoxy-3-O-β-D-glucopyranosyl-4-hydroxy-benzoate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: 2-O-β-D-glucopyranosyl-benzyl-2,6-dimethoxy-3-O-β-D-glucopyranosyl-4-hydroxy-benzoate
• 英文别名: piloside B；[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 4-hydroxy-2,6-dimethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
• 化学式: C₂₈H₃₆O₁₇
• 分子量: 644.584
• InChiKey: RIIDEYHXBGMTRL-BJWPXCCUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  45
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  264
• 氢给体数：
  9
• 氢受体数：
  17

反应信息

• 作为反应物：
  描述：

  2-O-β-D-glucopyranosyl-benzyl-2,6-dimethoxy-3-O-β-D-glucopyranosyl-4-hydroxy-benzoate 在 β-glucosidase 作用下， 以 acetate buffer 为溶剂， 生成 D-葡萄糖 、 水杨醇
  参考文献：
  名称：

  Benzylbenzoate and norlignan glucosides from Curculigo pilosa: structural analysis and in vitro vascular activity

  摘要：

  From the rhizomes of Curculigo pilosa, two benzylbenzoate diglucosides, piloside A and piloside B, and a glucosyl-fused norlignan, pilosidine, previously obtained only as the tetra-O-methyl derivative, were isolated. Pilosidine showed facilitating effect on adrenaline evoked contractions in rabbit aorta isolated preparations. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(00)00256-9