1-O-β-D-glucopyranosyl-(2S*,3R*,4E,8Z)-2-N-<(2'R)-hydroxy-tetracosanoyl> octadecasphinga-4,8-dienine | 220873-86-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 鞘脂
• 英文名称: 1-O-β-D-glucopyranosyl-(2S*,3R*,4E,8Z)-2-N-<(2'R)-hydroxy-tetracosanoyl> octadecasphinga-4,8-dienine
• 英文别名: longan cerebroside II；(2R)-2-hydroxy-N-[(2S,3R,4E,8Z)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]tetracosanamide
• CAS: 220873-86-9
• 化学式: C₄₈H₉₁NO₉
• 分子量: 826.252
• InChiKey: WJKBJBJBUDIMHM-YPXPOPQXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.9
• 重原子数：
  58
• 可旋转键数：
  40
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  169
• 氢给体数：
  7
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  1-O-β-D-glucopyranosyl-(2S*,3R*,4E,8Z)-2-N-<(2'R)-hydroxy-tetracosanoyl> octadecasphinga-4,8-dienine 在 盐酸 、 甲醇 作用下， 反应 5.0h， 生成 methyl (2R)-2-hydroxytetracosanoate
  参考文献：
  名称：

  Glycosides from Stenochlaena palustris

  摘要：

  A novel glycoside, (4S*,5R*)-4-[(9Z)-2,13-di-(O-beta-D-glucopyranosyl)-5,9,10-trimethyl-8-oxo-9- tetradecene-5-yl]-3,3,5-trimethylcyclohexanone, namely stenopaluside. and a new cerebroside, 1-O-beta-D-glucopyranosyl-(2S*, 3R*,4E, 8Z)-2-N-[(2R)-hydroxytetracosanoyl]octadecasphinga-4,8-dienine, were isolated from the leaves of Stenochlaena palustris, along with four known natural products, 3-oxo-4,5-dihydro-alpha-ionyl beta-D-glucopyranoside 3-formylindole, lutein, and beta-sitosterol-3-O-beta-D-glucopyranoside. The structures of the isolates were elucidated by spectroscopic and chemical methods. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(98)00352-5