4-methoxyphenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl-(1->4)-[2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl-(1->6)]-2,3-di-O-acetyl-β-D-glucopyranoside | 1344089-20-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-methoxyphenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl-(1->4)-[2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl-(1->6)]-2,3-di-O-acetyl-β-D-glucopyranoside
• CAS: 1344089-20-8
• 化学式: C₄₅H₅₈O₂₇
• 分子量: 1030.94
• InChiKey: UIIJHMPJMQGONW-RZMXAEPYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.23
• 重原子数：
  72.0
• 可旋转键数：
  20.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  327.61
• 氢给体数：
  0.0
• 氢受体数：
  27.0

反应信息

• 作为反应物：
  描述：

  4-methoxyphenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl-(1->4)-[2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl-(1->6)]-2,3-di-O-acetyl-β-D-glucopyranoside 在 ammonium cerium (IV) nitrate 作用下， 以 水 、 乙腈 为溶剂， 反应 1.67h， 生成
  参考文献：
  名称：

  Concise synthesis and antitumor activities of trisaccharide steroidal saponins

  摘要：

  The naturally derived trisaccharide steroidal saponin 1 and structurally modified derivatives 2 and 3 bearing the same sarsasapogenin aglycon were synthesized concisely via a direct transglycosylation strategy. The antitumor activities of the synthetic trisaccharide saponins 1-3 and their corresponding a-isomers 1a-3a were preliminarily evaluated against human gastric adenocarcinoma cell (MKN-45) and human epithelial cervical cancer cell (HeLa) by CCK-8 assay. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2011.08.026
• 作为产物：
  描述：

  p-methoxyphenyl 2,3-di-O-acetyl-4,6-O-benzylidene-β-D-glucopyranoside 在 三氟甲磺酸三甲基硅酯 、 水 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 4-methoxyphenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl-(1->4)-[2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl-(1->6)]-2,3-di-O-acetyl-β-D-glucopyranoside
  参考文献：
  名称：

  Concise synthesis and antitumor activities of trisaccharide steroidal saponins

  摘要：

  The naturally derived trisaccharide steroidal saponin 1 and structurally modified derivatives 2 and 3 bearing the same sarsasapogenin aglycon were synthesized concisely via a direct transglycosylation strategy. The antitumor activities of the synthetic trisaccharide saponins 1-3 and their corresponding a-isomers 1a-3a were preliminarily evaluated against human gastric adenocarcinoma cell (MKN-45) and human epithelial cervical cancer cell (HeLa) by CCK-8 assay. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2011.08.026