2-[27-(Diaminomethylideneamino)-13-(3,4-dihydronaphthalen-2-yl)-14,31,42-trihydroxy-7,11,43-trimethyl-8,39-dioxo-30-dodecacyclo[21.18.1.11,24.07,12.011,40.014,41.016,42.018,22.021,31.024,33.027,32.038,43]tritetraconta-15,18(22),20,25,40-pentaen-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)-14,31,42-trihydroxy-7,11,43-trimethyl-8,39-dioxo-30-dodecacyclo[21.18.1.11,24.07,12.011,40.014,41.016,42.018,22.021,31.024,33.027,32.038,43]tritetraconta-15,18(22),20,25,40-pentaen-4-ynylidene]propanoic acid
• 英文别名: 2-[27-(diaminomethylideneamino)-13-(3,4-dihydronaphthalen-2-yl)-14,31,42-trihydroxy-7,11,43-trimethyl-8,39-dioxo-30-dodecacyclo[21.18.1.11,24.07,12.011,40.014,41.016,42.018,22.021,31.024,33.027,32.038,43]tritetraconta-15,18(22),20,25,40-pentaen-4-ynylidene]propanoic acid
• 化学式: C₆₀H₆₅N₃O₇
• 分子量: 940.2
• InChiKey: YNIYRTPKMMBSQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  70
• 可旋转键数：
  3
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  197
• 氢给体数：
  6
• 氢受体数：
  8