2-[11-(Diaminomethylideneamino)-48-(3,4-dihydronaphthalen-2-yl)-15,16,19,26,36-pentahydroxy-43-methyl-23,44-dioxo-14-tridecacyclo[24.20.2.01,24.07,22.07,37.08,17.08,35.011,16.015,33.025,37.028,36.030,34.043,47]octatetraconta-9,24,27,30(34),32-pentaen-40-ynylidene]propanoic 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: 2-[11-(Diaminomethylideneamino)-48-(3,4-dihydronaphthalen-2-yl)-15,16,19,26,36-pentahydroxy-43-methyl-23,44-dioxo-14-tridecacyclo[24.20.2.01,24.07,22.07,37.08,17.08,35.011,16.015,33.025,37.028,36.030,34.043,47]octatetraconta-9,24,27,30(34),32-pentaen-40-ynylidene]propanoic acid
• 英文别名: 2-[11-(diaminomethylideneamino)-48-(3,4-dihydronaphthalen-2-yl)-15,16,19,26,36-pentahydroxy-43-methyl-23,44-dioxo-14-tridecacyclo[24.20.2.01,24.07,22.07,37.08,17.08,35.011,16.015,33.025,37.028,36.030,34.043,47]octatetraconta-9,24,27,30(34),32-pentaen-40-ynylidene]propanoic acid
• 化学式: C₆₃H₆₉N₃O₉
• 分子量: 1012.2
• InChiKey: IRDMDUBKMCXWRF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  75
• 可旋转键数：
  3
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  237
• 氢给体数：
  8
• 氢受体数：
  10