7-[[8-[3,5-Bis(hydroxymethyl)-10-bicyclo[7.3.1]tridec-6-ynyl]-19-[(2,5-dioxopyrrol-1-yl)methyl]-26-[(1-ethylcyclopentyl)methylidene]-3,28-dioxo-4,27-dioxa-10,11-dithia-13,15-diazaheptacyclo[19.9.2.114,18.01,5.02,20.022,30.025,29]tritriaconta-2(20),5,14(33),17,25(29)-pentaen-9-yl]amino]-8-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carbaldehyde

• 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-[[8-[3,5-Bis(hydroxymethyl)-10-bicyclo[7.3.1]tridec-6-ynyl]-19-[(2,5-dioxopyrrol-1-yl)methyl]-26-[(1-ethylcyclopentyl)methylidene]-3,28-dioxo-4,27-dioxa-10,11-dithia-13,15-diazaheptacyclo[19.9.2.114,18.01,5.02,20.022,30.025,29]tritriaconta-2(20),5,14(33),17,25(29)-pentaen-9-yl]amino]-8-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carbaldehyde
• 英文别名: 7-[[8-[3,5-bis(hydroxymethyl)-10-bicyclo[7.3.1]tridec-6-ynyl]-19-[(2,5-dioxopyrrol-1-yl)methyl]-26-[(1-ethylcyclopentyl)methylidene]-3,28-dioxo-4,27-dioxa-10,11-dithia-13,15-diazaheptacyclo[19.9.2.114,18.01,5.02,20.022,30.025,29]tritriaconta-2(20),5,14(33),17,25(29)-pentaen-9-yl]amino]-8-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carbaldehyde
• 化学式: C₆₆H₈₄N₄O₁₀S₂
• 分子量: 1157.5
• InChiKey: BYKXOXRONYBAAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.2
• 重原子数：
  82
• 可旋转键数：
  10
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  254
• 氢给体数：
  6
• 氢受体数：
  15