3-[4-(3-Aminopropyl)-46'-hydroxy-31'-methyl-3,49'-dioxo-44'-trispiro[4.0.0.47.36.35]heptadecan-13-ylspiro[2-benzofuran-1,5'-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]-22'-yl]propanal

• 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: 3-[4-(3-Aminopropyl)-46'-hydroxy-31'-methyl-3,49'-dioxo-44'-trispiro[4.0.0.47.36.35]heptadecan-13-ylspiro[2-benzofuran-1,5'-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]-22'-yl]propanal
• 英文别名: 3-[4-(3-aminopropyl)-46'-hydroxy-31'-methyl-3,49'-dioxo-44'-trispiro[4.0.0.47.36.35]heptadecan-13-ylspiro[2-benzofuran-1,5'-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]-22'-yl]propanal
• 化学式: C₈₃H₁₀₇N₃O₆
• 分子量: 1242.8
• InChiKey: OPRBKFXLXUCHRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.8
• 重原子数：
  92
• 可旋转键数：
  7
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  122
• 氢给体数：
  2
• 氢受体数：
  9