2-[11'-(Diaminomethylideneamino)-48'-(3,4-dihydronaphthalen-2-yl)-15',16',19',26',36'-pentahydroxy-43'-methyl-23',44'-dioxospiro[cyclopentane-1,20'-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-yne]-14'-ylidene]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'-dioxospiro[cyclopentane-1,20'-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-yne]-14'-ylidene]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'-dioxospiro[cyclopentane-1,20'-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-yne]-14'-ylidene]propanoic acid
• 化学式: C₆₇H₇₅N₃O₉
• 分子量: 1066.3
• InChiKey: NUHOLFOKFBTXKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  79
• 可旋转键数：
  3
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  237
• 氢给体数：
  8
• 氢受体数：
  10