herbacetin 3-O-α-L-rhamnopyranoside 8-O-β-D-glucopyranoside

• 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: herbacetin 3-O-α-L-rhamnopyranoside 8-O-β-D-glucopyranoside
• 英文别名: 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
• 化学式: C₂₇H₃₀O₁₆
• 分子量: 610.526
• InChiKey: ZBCIMVCVGORQFA-ZGQVXQITSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  43
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  266
• 氢给体数：
  10
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  herbacetin 3-O-α-L-rhamnopyranoside 8-O-β-D-glucopyranoside 在 盐酸 作用下， 反应 2.0h， 生成 4-氯-3-氟苯甲醛
  参考文献：
  名称：

  Flavonoids from Ephedra aphylla

  摘要：

  A new di-C-glucosylflavone, 2 '',2'''-di-O-beta-glucopyranosyl-vicenin II and a new flavonol di-O-glycoside, herbacetin 3-O-alpha-rhamnopyranoside-8-O-beta-glucopyranoside, were isolated from the aerial parts of Ephedra aphylla. Vicenin II, the 7-methoxy-4-quinolone 2-carboxylic acid, ephedralone, p-hydroxybenzoic, p-coumaric, protocatechuic acids and herbacetin 7-methyl ether were also isolated. The C-13 NMR spectrum of the latter compound has been assigned for the first time. (C) 1997 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(97)00092-7

文献信息

• Flavonoids from Ephedra aphylla
  作者：Sahar A.M. Hussein、Heba H. Barakat、Mahmoud A.M. Nawar、Günter Willuhn

  DOI：10.1016/s0031-9422(97)00092-7

  日期：1997.8

  A new di-C-glucosylflavone, 2 '',2'''-di-O-beta-glucopyranosyl-vicenin II and a new flavonol di-O-glycoside, herbacetin 3-O-alpha-rhamnopyranoside-8-O-beta-glucopyranoside, were isolated from the aerial parts of Ephedra aphylla. Vicenin II, the 7-methoxy-4-quinolone 2-carboxylic acid, ephedralone, p-hydroxybenzoic, p-coumaric, protocatechuic acids and herbacetin 7-methyl ether were also isolated. The C-13 NMR spectrum of the latter compound has been assigned for the first time. (C) 1997 Elsevier Science Ltd. All rights reserved.