(2R,4S,10S,12S)-2-[7-(12,13,16-trihydroxy-α-tetralonyl-13-O-β-D-glucopyranoside)]-4,8-dihydroxy-α-tetralone-4-O-β-D-glucopyranoside

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (2R,4S,10S,12S)-2-[7-(12,13,16-trihydroxy-α-tetralonyl-13-O-β-D-glucopyranoside)]-4,8-dihydroxy-α-tetralone-4-O-β-D-glucopyranoside
• 英文别名: juglansditetralone A
• 化学式: C₃₂H₃₈O₁₇
• 分子量: 694.644
• InChiKey: QGVMPBHCDFFABV-SEPRTNRMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.73
• 重原子数：
  49.0
• 可旋转键数：
  7.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  293.59
• 氢给体数：
  11.0
• 氢受体数：
  17.0

反应信息

• 作为反应物：
  描述：

  (2R,4S,10S,12S)-2-[7-(12,13,16-trihydroxy-α-tetralonyl-13-O-β-D-glucopyranoside)]-4,8-dihydroxy-α-tetralone-4-O-β-D-glucopyranoside 在 盐酸 作用下， 以 水 为溶剂， 反应 2.0h， 生成 葡萄糖
  参考文献：
  名称：

  New α-ditetralonyl glucoside from the green walnut husk of Juglans mandshurica

  摘要：

  One new alpha-ditetralonyl glucoside (1), was isolated from the green walnut husk of Juglans mandshurica (Juglandaceae), together with twelve known compounds (2-13). The structure of the new compound was determined as (2R,4S,10S,12S)-2-[7-(12,13,16-trihydroxy-alpha-tetralonyl-13-O-beta-D-glucopyranoside)]- 4,8-dihydroxy-alpha-tetralone-4-O-beta-D-glucopyranoside (1), on the basis of detailed spectroscopic analyses, and acidic hydrolysis. Compounds 6, 7 and 11 were isolated from the genus Juglans for the first time. Compound 1-13 showed weak cytotoxic against A549 and HeLa cell lines.[GRAPHICS].

  DOI：

  10.1080/14786419.2019.1608538

文献信息

• New <i>α</i>-ditetralonyl glucoside from the green walnut husk of <i>Juglans mandshurica</i>
  作者：An-Dong Wang、Xin-Yu Xie、Wei-Ming Zeng、Jian-Yu Liu、Yong-Nan Xu

  DOI：10.1080/14786419.2019.1608538

  日期：2020.11.1

  One new alpha-ditetralonyl glucoside (1), was isolated from the green walnut husk of Juglans mandshurica (Juglandaceae), together with twelve known compounds (2-13). The structure of the new compound was determined as (2R,4S,10S,12S)-2-[7-(12,13,16-trihydroxy-alpha-tetralonyl-13-O-beta-D-glucopyranoside)]- 4,8-dihydroxy-alpha-tetralone-4-O-beta-D-glucopyranoside (1), on the basis of detailed spectroscopic analyses, and acidic hydrolysis. Compounds 6, 7 and 11 were isolated from the genus Juglans for the first time. Compound 1-13 showed weak cytotoxic against A549 and HeLa cell lines.[GRAPHICS].