N-(beta-D-glucopyranosyl)nicotinic acid | 25905-63-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-(beta-D-glucopyranosyl)nicotinic acid
• 英文别名: N-(β-glucopyranosyl)nicotinic acid；1-β-D-glucopyranosylpyridinium-3-carboxylate；N-(beta-D-glucosyl)nicotinate；1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridin-1-ium-3-carboxylate
• CAS: 25905-63-9
• 化学式: C₁₂H₁₅NO₇
• 分子量: 285.254
• InChiKey: CRXJVFIHZPTDKA-KAMPLNKDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  134
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  在 水 、 sodium hydroxide 作用下， 反应 12.0h， 以270 mg的产率得到N-(beta-D-glucopyranosyl)nicotinic acid
  参考文献：
  名称：

  Two 1-(6′-O-acyl-β-d-glucopyranosyl)pyridinium-3-carboxylates from the flower buds of Lonicera japonica

  摘要：

  Two new 1-(6'-O-acyl-beta-D-glucopyranosyl)pyridinium-3-carboxylates, lonijaponinicotinosides A (1) and B (2), were isolated from an aqueous extract of the flower buds of Lonicera japonica. Their structures were determined by spectroscopic data analysis, and confirmed by comparison with synthetic 1-beta-D-glucopyranosylpyridinium-3-carboxylate. (C) 2014 Jian-Gong Shi. Published by Elsevier B.V. on behalf of Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. All rights reserved.

  DOI：

  10.1016/j.cclet.2014.10.011

文献信息

• Two 1-(6′-O-acyl-β-d-glucopyranosyl)pyridinium-3-carboxylates from the flower buds of Lonicera japonica
  作者：Zhi-Bo Jiang、Wei-Xia Song、Jian-Gong Shi

  DOI：10.1016/j.cclet.2014.10.011

  日期：2015.1

  Two new 1-(6'-O-acyl-beta-D-glucopyranosyl)pyridinium-3-carboxylates, lonijaponinicotinosides A (1) and B (2), were isolated from an aqueous extract of the flower buds of Lonicera japonica. Their structures were determined by spectroscopic data analysis, and confirmed by comparison with synthetic 1-beta-D-glucopyranosylpyridinium-3-carboxylate. (C) 2014 Jian-Gong Shi. Published by Elsevier B.V. on behalf of Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. All rights reserved.