(1S,6R,7S)-7-[1-Hydroxy-10,12-dimethoxy-6-oxo-4-((2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yl)-6H-dibenzo[c,h]chromen-8-yl]-6-methyl-2,4-diaza-bicyclo[4.2.0]octane-3,5-dione | 125330-05-4

• 分子结构分类: 有机化合物
• 英文名称: (1S,6R,7S)-7-[1-Hydroxy-10,12-dimethoxy-6-oxo-4-((2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yl)-6H-dibenzo[c,h]chromen-8-yl]-6-methyl-2,4-diaza-bicyclo[4.2.0]octane-3,5-dione
• 英文别名: (1S,6R,7S)-7-[1-Hydroxy-10,12-dimethoxy-6-oxo-4-((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yl)-6H-dibenzo[c,h]chromen-8-yl]-6-methyl-2,4-diaza-bicyclo[4.2.0]octane-3,5-dione
• CAS: 125330-05-4
• 化学式: C₃₂H₃₂N₂O₁₁
• 分子量: 620.613
• InChiKey: CGWLEJFIUIAIJK-SBJOECNMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.07
• 重原子数：
  45.0
• 可旋转键数：
  4.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  197.02
• 氢给体数：
  6.0
• 氢受体数：
  11.0

反应信息

• 作为产物：
  描述：

  gilvocarcin V 、 alkaline earth salt of/the/ methylsulfuric acid 在 盐酸 、 Tris buffer 作用下， 生成 (1S,6R,7S)-7-[1-Hydroxy-10,12-dimethoxy-6-oxo-4-((2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yl)-6H-dibenzo[c,h]chromen-8-yl]-6-methyl-2,4-diaza-bicyclo[4.2.0]octane-3,5-dione 、 (1S,6R,7S)-7-[1-Hydroxy-10,12-dimethoxy-6-oxo-4-((2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yl)-6H-dibenzo[c,h]chromen-8-yl]-6-methyl-2,4-diaza-bicyclo[4.2.0]octane-3,5-dione 、 (1S,6R,7S)-7-{4-[(2S,3S,4S,5R)-3,4-Dihydroxy-5-((S)-1-hydroxy-ethyl)-tetrahydro-furan-2-yl]-1-hydroxy-10,12-dimethoxy-6-oxo-6H-dibenzo[c,h]chromen-8-yl}-6-methyl-2,4-diaza-bicyclo[4.2.0]octane-3,5-dione 、 (1S,6R,7S)-7-{4-[(2R,3S,4S,5R)-3,4-Dihydroxy-5-((S)-1-hydroxy-ethyl)-tetrahydro-furan-2-yl]-1-hydroxy-10,12-dimethoxy-6-oxo-6H-dibenzo[c,h]chromen-8-yl}-6-methyl-2,4-diaza-bicyclo[4.2.0]octane-3,5-dione
  参考文献：
  名称：

  Gilvocarcin photobiology. Isolation and characterization of the DNA photoadduct

  摘要：

  DOI：

  10.1021/ja00162a046