2-[27-(Diaminomethylideneamino)-13-(3,4-dihydronaphthalen-2-yl)-14,31,43-trihydroxy-7,11-dimethyl-8,40-dioxo-30-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-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-[27-(Diaminomethylideneamino)-13-(3,4-dihydronaphthalen-2-yl)-14,31,43-trihydroxy-7,11-dimethyl-8,40-dioxo-30-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-ynylidene]propanoic acid
• 英文别名: 2-[27-(diaminomethylideneamino)-13-(3,4-dihydronaphthalen-2-yl)-14,31,43-trihydroxy-7,11-dimethyl-8,40-dioxo-30-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-ynylidene]propanoic acid
• 化学式: C₅₉H₆₁N₃O₇
• 分子量: 924.1
• InChiKey: KSKUOVWPLHOZKZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  69
• 可旋转键数：
  3
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  197
• 氢给体数：
  6
• 氢受体数：
  8