3-[31-(Diaminomethylideneamino)-2,21,29-trihydroxy-3,18,18,36-tetramethyl-6,17-dioxo-20-(2-phenylethenyl)-29-decacyclo[23.9.1.130,34.02,23.03,8.04,21.05,14.08,34.014,19.028,35]hexatriaconta-4,22,25(35),27,32-pentaenyl]-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-[31-(Diaminomethylideneamino)-2,21,29-trihydroxy-3,18,18,36-tetramethyl-6,17-dioxo-20-(2-phenylethenyl)-29-decacyclo[23.9.1.130,34.02,23.03,8.04,21.05,14.08,34.014,19.028,35]hexatriaconta-4,22,25(35),27,32-pentaenyl]-3-hydroxy-2-methylprop-2-enoic acid
• 英文别名: 3-[31-(diaminomethylideneamino)-2,21,29-trihydroxy-3,18,18,36-tetramethyl-6,17-dioxo-20-(2-phenylethenyl)-29-decacyclo[23.9.1.130,34.02,23.03,8.04,21.05,14.08,34.014,19.028,35]hexatriaconta-4,22,25(35),27,32-pentaenyl]-3-hydroxy-2-methylprop-2-enoic acid
• 化学式: C₅₃H₆₁N₃O₈
• 分子量: 868.1
• InChiKey: HPNGQFKIGKCFDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  64
• 可旋转键数：
  5
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  217
• 氢给体数：
  7
• 氢受体数：
  9