3-Hydroxy-4-[[19,20,21,25-tetrahydroxy-10-(hydroxymethyl)-2-[2-(2-imino-6-oxo-8,9-dihydropurin-9-ium-9-yl)phenyl]-6,13-dioxo-17,29,32-trioxahexacyclo[16.9.5.03,16.05,14.07,12.021,31]dotriaconta-3,5(14),7(12),8,10,15-hexaen-22-yn-15-yl]oxy]butanal

• 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-Hydroxy-4-[[19,20,21,25-tetrahydroxy-10-(hydroxymethyl)-2-[2-(2-imino-6-oxo-8,9-dihydropurin-9-ium-9-yl)phenyl]-6,13-dioxo-17,29,32-trioxahexacyclo[16.9.5.03,16.05,14.07,12.021,31]dotriaconta-3,5(14),7(12),8,10,15-hexaen-22-yn-15-yl]oxy]butanal
• 英文别名: 3-hydroxy-4-[[19,20,21,25-tetrahydroxy-10-(hydroxymethyl)-2-[2-(2-imino-6-oxo-8,9-dihydropurin-9-ium-9-yl)phenyl]-6,13-dioxo-17,29,32-trioxahexacyclo[16.9.5.03,16.05,14.07,12.021,31]dotriaconta-3,5(14),7(12),8,10,15-hexaen-22-yn-15-yl]oxy]butanal
• 化学式: C45H44N5O14+
• 分子量: 878.9
• InChiKey: FWVXHCRHWYPZNZ-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  64
• 可旋转键数：
  8
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  292
• 氢给体数：
  9
• 氢受体数：
  16