3-[22-[(Diaminomethylideneamino)methyl]-2,13,21-trihydroxy-3,6,10,10,29-pentamethyl-9,32-dioxo-12-(2-phenylethenyl)-21-nonacyclo[15.13.1.15,28.02,15.03,29.04,13.06,11.020,31.023,30]dotriaconta-4,14,17(31),19-tetraenyl]-3-hydroxy-2-methylprop-2-enoic acid

• 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-[22-[(Diaminomethylideneamino)methyl]-2,13,21-trihydroxy-3,6,10,10,29-pentamethyl-9,32-dioxo-12-(2-phenylethenyl)-21-nonacyclo[15.13.1.15,28.02,15.03,29.04,13.06,11.020,31.023,30]dotriaconta-4,14,17(31),19-tetraenyl]-3-hydroxy-2-methylprop-2-enoic acid
• 英文别名: 3-[22-[(diaminomethylideneamino)methyl]-2,13,21-trihydroxy-3,6,10,10,29-pentamethyl-9,32-dioxo-12-(2-phenylethenyl)-21-nonacyclo[15.13.1.15,28.02,15.03,29.04,13.06,11.020,31.023,30]dotriaconta-4,14,17(31),19-tetraenyl]-3-hydroxy-2-methylprop-2-enoic acid
• 化学式: C₅₁H₆₁N₃O₈
• 分子量: 844.0
• InChiKey: CQHMWQVJAAFYLO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  62
• 可旋转键数：
  6
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  217
• 氢给体数：
  7
• 氢受体数：
  9