(2S,3R,4S,5R,6R)-2-methoxy-6-(((3,4,5-trihydroxybenzoyl)oxy)methyl)tetrahydro-2H-pyran-3,4,5-triyl tris (3,4,5-trihydroxybenzoate) | 170902-26-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: (2S,3R,4S,5R,6R)-2-methoxy-6-(((3,4,5-trihydroxybenzoyl)oxy)methyl)tetrahydro-2H-pyran-3,4,5-triyl tris (3,4,5-trihydroxybenzoate)
• 英文别名: methyl-(tetra-O-galloyl-α-D-glucopyranoside)；Methyl-(tetra-O-galloyl-α-D-glucopyranosid)；galloyl(-2)[galloyl(-3)][galloyl(-4)][galloyl(-6)]a-Glc1Me；[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
• CAS: 170902-26-8
• 化学式: C₃₅H₃₀O₂₂
• 分子量: 802.61
• InChiKey: KNGUIYKUPNUFQT-ATQYJBPKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  57
• 可旋转键数：
  14
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  366
• 氢给体数：
  12
• 氢受体数：
  22

反应信息

• 作为产物：
  描述：

  三乙酰基没食子酰氯 在 喹啉 、 氯仿 、 sodium acetate 、 丙酮 作用下， 生成 (2S,3R,4S,5R,6R)-2-methoxy-6-(((3,4,5-trihydroxybenzoyl)oxy)methyl)tetrahydro-2H-pyran-3,4,5-triyl tris (3,4,5-trihydroxybenzoate)
  参考文献：
  名称：

  Chemical Constitution and the Tanning Effect. III. The Synthesis and Examination of Fructose Pentagallate, d-Arabinose Tetragallate and α-Methyl-d-glucoside Tetragallate

  摘要：

  DOI：

  10.1021/ja01239a017

文献信息

• TANNIN INHIBITORS OF HIV
  申请人：University of Iowa Research Foundation

  公开号：US20160038520A1

  公开（公告）日：2016-02-11

  The invention provides a method to prevent or treat HIV-infection with synthetic tannins, and pharmaceutical compositions comprising synthetic tannins.
• US9370529B2
  申请人：——

  公开号：US9370529B2

  公开（公告）日：2016-06-21
• Chemical Constitution and the Tanning Effect. III. The Synthesis and Examination of Fructose Pentagallate, d-Arabinose Tetragallate and α-Methyl-d-glucoside Tetragallate
  作者：Alfred Russell、W. G. Tebbens

  DOI：10.1021/ja01239a017

  日期：1944.11