7-(3-Aminopropyl)-46'-hydroxy-22',31'-dimethyl-44'-spiro[cyclopentane-1,14'-tetracyclo[10.2.1.01,5.05,9]pentadec-10-ene]-12'-ylspiro[2-benzofuran-3,5'-48-oxa-37,43-diazatetradecacyclo[31.18.2.19,13.139,43.04,47.04,50.06,50.08,26.013,17.016,20.028,51.030,52.036,41.037,53]pentapentaconta-1(51),18,24,26,33(53),46-hexaene]-1,49'-dione

• 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: 7-(3-Aminopropyl)-46'-hydroxy-22',31'-dimethyl-44'-spiro[cyclopentane-1,14'-tetracyclo[10.2.1.01,5.05,9]pentadec-10-ene]-12'-ylspiro[2-benzofuran-3,5'-48-oxa-37,43-diazatetradecacyclo[31.18.2.19,13.139,43.04,47.04,50.06,50.08,26.013,17.016,20.028,51.030,52.036,41.037,53]pentapentaconta-1(51),18,24,26,33(53),46-hexaene]-1,49'-dione
• 英文别名: 7-(3-aminopropyl)-46'-hydroxy-22',31'-dimethyl-44'-spiro[cyclopentane-1,14'-tetracyclo[10.2.1.01,5.05,9]pentadec-10-ene]-12'-ylspiro[2-benzofuran-3,5'-48-oxa-37,43-diazatetradecacyclo[31.18.2.19,13.139,43.04,47.04,50.06,50.08,26.013,17.016,20.028,51.030,52.036,41.037,53]pentapentaconta-1(51),18,24,26,33(53),46-hexaene]-1,49'-dione
• 化学式: C₈₃H₁₀₅N₃O₅
• 分子量: 1224.7
• InChiKey: JOPXMBDNCXJCPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.5
• 重原子数：
  91
• 可旋转键数：
  4
• 环数：
  24.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  8