2-[27'-(Diaminomethylideneamino)-13'-(3,4-dihydronaphthalen-2-yl)-14',31',43'-trihydroxy-7',11'-dimethyl-8',40'-dioxospiro[cyclopentane-1,34'-dodecacyclo[21.19.1.01,38.07,12.011,41.014,42.016,43.018,22.021,31.024,33.024,38.027,32]tritetraconta-15,18(22),20,25,35,41-hexaen-4-yne]-30'-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-[27'-(Diaminomethylideneamino)-13'-(3,4-dihydronaphthalen-2-yl)-14',31',43'-trihydroxy-7',11'-dimethyl-8',40'-dioxospiro[cyclopentane-1,34'-dodecacyclo[21.19.1.01,38.07,12.011,41.014,42.016,43.018,22.021,31.024,33.024,38.027,32]tritetraconta-15,18(22),20,25,35,41-hexaen-4-yne]-30'-ylidene]propanoic acid
• 英文别名: 2-[27'-(diaminomethylideneamino)-13'-(3,4-dihydronaphthalen-2-yl)-14',31',43'-trihydroxy-7',11'-dimethyl-8',40'-dioxospiro[cyclopentane-1,34'-dodecacyclo[21.19.1.01,38.07,12.011,41.014,42.016,43.018,22.021,31.024,33.024,38.027,32]tritetraconta-15,18(22),20,25,35,41-hexaen-4-yne]-30'-ylidene]propanoic acid
• 化学式: C₆₃H₆₇N₃O₇
• 分子量: 978.2
• InChiKey: IANUAYQGLYLNSX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  73
• 可旋转键数：
  3
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  197
• 氢给体数：
  6
• 氢受体数：
  8