torachrysone-8-O-β-D-(6'-O-acetyl)glucopyranosid | 1228445-10-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: torachrysone-8-O-β-D-(6'-O-acetyl)glucopyranosid
• 英文别名: rumexneposide B；torachrysone-8-O-b-D-(60-O-acetyl)glucopyranoside；[(2R,3S,4S,5R,6S)-6-(7-acetyl-8-hydroxy-3-methoxy-6-methylnaphthalen-1-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
• CAS: 1228445-10-0
• 化学式: C₂₂H₂₆O₁₀
• 分子量: 450.442
• InChiKey: VZBFIARZRSDENM-BZGGIJSCSA-N

物化性质

• 沸点：
  672.9±55.0 °C(Predicted)
• 密度：
  1.408±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  152
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  torachrysone-8-O-β-D-(6'-O-acetyl)glucopyranosid 在 盐酸 作用下， 以 1,3-二噁烷 为溶剂， 反应 60.0h， 生成 葡萄糖
  参考文献：
  名称：

  Bioactive compounds from Rumex plants

  摘要：

  Two new naphthalene acylglucosides, rumexneposides A (1) and B (2), together with 12 known compounds (3-14), were isolated from the roots of Rumex nepalensis. Their structures were established by chemical and spectroscopic methods. The biological activities of compounds 1-14 as well as an additional 11 compounds previously isolated from R. nepalensis and Rumex hastatus (15-25) were evaluated against Mycobacterium tuberculosis, para-aminobenzoic acid (pAba) pathway, and a panel of human cancer cell lines. The results showed that compound 15 was the most active against M. tuberculosis with an MIC value of 2.85 mu M similar to that of isoniazid. Compound 5 could inhibit pAba synthetic pathway with an MIC value of 12.6 mu M, comparable to that of positive control abyssomicin C, representing a new example of the rare pAba pathway inhibitors. (C) 2010 Phytochemical Society of Europe. Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.phytol.2010.05.005

文献信息

• Bioactive compounds from Rumex plants
  作者：Heng-Xing Liang、Huan-Qin Dai、Hai-An Fu、Xiao-Ping Dong、Abiodun Humphrey Adebayo、Li-Xin Zhang、Yong-Xian Cheng

  DOI：10.1016/j.phytol.2010.05.005

  日期：2010.12

  Two new naphthalene acylglucosides, rumexneposides A (1) and B (2), together with 12 known compounds (3-14), were isolated from the roots of Rumex nepalensis. Their structures were established by chemical and spectroscopic methods. The biological activities of compounds 1-14 as well as an additional 11 compounds previously isolated from R. nepalensis and Rumex hastatus (15-25) were evaluated against Mycobacterium tuberculosis, para-aminobenzoic acid (pAba) pathway, and a panel of human cancer cell lines. The results showed that compound 15 was the most active against M. tuberculosis with an MIC value of 2.85 mu M similar to that of isoniazid. Compound 5 could inhibit pAba synthetic pathway with an MIC value of 12.6 mu M, comparable to that of positive control abyssomicin C, representing a new example of the rare pAba pathway inhibitors. (C) 2010 Phytochemical Society of Europe. Published by Elsevier B.V. All rights reserved.