naringenin 7-O-β-(6''-galloylglucopyranoside) | 54835-98-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: naringenin 7-O-β-(6''-galloylglucopyranoside)
• 英文别名: naringenin 7-O-β-D-(6''-O-galloyl)glucopyranoside；prunin 6′'-O-gallate；Prunin-O-6''-gallat；Prunin 6''-O-gallate；[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
• CAS: 54835-98-2
• 化学式: C₂₈H₂₆O₁₄
• 分子量: 586.506
• InChiKey: UNTKZTADYPALEE-RKLFNRSMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  42
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  233
• 氢给体数：
  8
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  naringenin 7-O-β-(4'',6''-digalloylglucopyranoside) 在 acid 作用下， 生成 naringenin 7-O-β-(6''-galloylglucopyranoside)
  参考文献：
  名称：

  Flavonoid galloyl glucosides from the pods of Acaciafarnesiana

  摘要：

  Three new flavonoids: naringenin 7-O-beta-(4",6"-digalloylglucopyranoside), quercetin 7-O-beta-(6"-galloylglucopyranoside) and myricetin 7-O-beta-(6"-galloylglucoppranoside) were identified from the pods of Acacia farnesiana, together with naringenin and kaempferol 7-(6"-galloylglucoside). The structures were determined by conventional methods of analysis and confirmed by ESI-MS (negative mode) and NMR spectroscopy. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(97)00010-1