19-(α-D-glucopyranosyloxy)isopimara-7,15-dien-3β-ol | 1320356-10-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 19-(α-D-glucopyranosyloxy)isopimara-7,15-dien-3β-ol
• 英文别名: 19-(alpha-D-glucopyranosyloxy)isopimara-7,15-dien-3beta-ol；(2S,3R,4S,5S,6R)-2-[[(1S,2S,4aR,4bS,7S,10aR)-7-ethenyl-2-hydroxy-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthren-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• CAS: 1320356-10-2
• 化学式: C₂₆H₄₂O₇
• 分子量: 466.615
• InChiKey: MNLKJAWNYVVDPI-MGZCVINXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  120
• 氢给体数：
  5
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  19-(α-D-glucopyranosyloxy)isopimara-7,15-dien-3β-ol 在 三氟乙酸 作用下， 反应 3.0h， 生成 a-无水葡萄糖酯 、 Δ^7,8-virescenoside B aglycon
  参考文献：
  名称：

  Isopimarane diterpene glycosides, isolated from endophytic fungus Paraconiothyrium sp. MY-42

  摘要：

  Six isopimarane diterpenes, compounds 1-6, were isolated from the endophytic fungus Paraconiothyrium sp. MY-42. Compound 1 possesses a 19-glucopyranosyloxy group. Its structure was first elucidated by spectroscopic data analysis and finally confirmed by X-ray crystallography, whereas structures 2-6 were mainly elucidated based on the analysis of spectroscopic evidence. Compounds 2 and 3 showed moderate cytotoxicities against the human promyelocytic leukemia cell line HL60 (IC50 6.7 mu M value for 2 and 9.8 mu M for 3). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2011.04.016

文献信息

• Isopimarane diterpene glycosides, isolated from endophytic fungus Paraconiothyrium sp. MY-42
  作者：Yoshihito Shiono、Miwako Kikuchi、Takuya Koseki、Tetsuya Murayama、Eunsang Kwon、Nobuhiro Aburai、Ken-ichi Kimura

  DOI：10.1016/j.phytochem.2011.04.016

  日期：2011.8

  Six isopimarane diterpenes, compounds 1-6, were isolated from the endophytic fungus Paraconiothyrium sp. MY-42. Compound 1 possesses a 19-glucopyranosyloxy group. Its structure was first elucidated by spectroscopic data analysis and finally confirmed by X-ray crystallography, whereas structures 2-6 were mainly elucidated based on the analysis of spectroscopic evidence. Compounds 2 and 3 showed moderate cytotoxicities against the human promyelocytic leukemia cell line HL60 (IC50 6.7 mu M value for 2 and 9.8 mu M for 3). (C) 2011 Elsevier Ltd. All rights reserved.