(2S,4S)-6,8-dimethyl-7-hydroxy-4'-methoxy-4,2''-oxidoflavan-5-O-β-D-6-O-acetyl-glucopyranoside | 877852-68-1

• 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: (2S,4S)-6,8-dimethyl-7-hydroxy-4'-methoxy-4,2''-oxidoflavan-5-O-β-D-6-O-acetyl-glucopyranoside
• 英文别名: abacopterin A；[(3S,5R,6S,7S,8R,10S,12S)-6,7,16-trihydroxy-12-(4-methoxyphenyl)-15,17-dimethyl-2,4,9,13-tetraoxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),14(18),15-trien-5-yl]methyl acetate
• CAS: 877852-68-1
• 化学式: C₂₆H₃₀O₁₀
• 分子量: 502.518
• InChiKey: IFELYQDGJJZHIW-KPBPQVAGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  133
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  (2S,4S)-6,8-dimethyl-7-hydroxy-4'-methoxy-4,2''-oxidoflavan-5-O-β-D-6-O-acetyl-glucopyranoside 在 盐酸 作用下， 反应 5.0h， 以5 mg的产率得到5,7-dihydroxy-4'-methoxy-6,8-dimethylanthocyanidin
  参考文献：
  名称：

  Flavan-4-ol Glycosides from the Rhizomes of Abacopteris penangiana

  摘要：

  Four new flavan-4-ol glycosides, abacopterins A-D (1-4), were isolated from a methanol extract of the rhizomes of Abacopteris penangiana, together with two known compounds, triphyllin A (5) and 6,8-dimethyl-7-hydroxy-4'-methoxyanthocyanidin-5-O-beta-D-glucopyranoside (6). Their structures were elucidated by extensive spectroscopic analysis and chemical methods. The cytotoxic activity of 1-5 against HepG2 human hepatoma cells was investigated.

  DOI：

  10.1021/np050191p

文献信息

• Flavan-4-ol Glycosides from the Rhizomes of <i>Abacopteris </i><i>p</i><i>enangiana</i>
  作者：Zhongxiang Zhao、Jinlan Ruan、Jing Jin、Jian Zou、Daonian Zhou、Wei Fang、Fanbo Zeng

  DOI：10.1021/np050191p

  日期：2006.2.1

  Four new flavan-4-ol glycosides, abacopterins A-D (1-4), were isolated from a methanol extract of the rhizomes of Abacopteris penangiana, together with two known compounds, triphyllin A (5) and 6,8-dimethyl-7-hydroxy-4'-methoxyanthocyanidin-5-O-beta-D-glucopyranoside (6). Their structures were elucidated by extensive spectroscopic analysis and chemical methods. The cytotoxic activity of 1-5 against HepG2 human hepatoma cells was investigated.