2-[13-(Diaminomethylideneamino)-40-(3,4-dihydronaphthalen-2-yl)-1,9,14,18-tetrahydroxy-15-(2-hydroxyethyl)-25-methyl-26,37-dioxo-10-dodecacyclo[23.14.2.213,16.15,17.03,18.09,14.016,35.019,35.019,39.029,38.029,41.08,42]tetratetraconta-2,5(42),7,38,43-pentaen-22-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-[13-(Diaminomethylideneamino)-40-(3,4-dihydronaphthalen-2-yl)-1,9,14,18-tetrahydroxy-15-(2-hydroxyethyl)-25-methyl-26,37-dioxo-10-dodecacyclo[23.14.2.213,16.15,17.03,18.09,14.016,35.019,35.019,39.029,38.029,41.08,42]tetratetraconta-2,5(42),7,38,43-pentaen-22-ynylidene]propanoic acid
• 英文别名: 2-[13-(diaminomethylideneamino)-40-(3,4-dihydronaphthalen-2-yl)-1,9,14,18-tetrahydroxy-15-(2-hydroxyethyl)-25-methyl-26,37-dioxo-10-dodecacyclo[23.14.2.213,16.15,17.03,18.09,14.016,35.019,35.019,39.029,38.029,41.08,42]tetratetraconta-2,5(42),7,38,43-pentaen-22-ynylidene]propanoic acid
• 化学式: C₆₁H₆₇N₃O₉
• 分子量: 986.2
• InChiKey: PKNKANCDUZCGLH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  73
• 可旋转键数：
  5
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  237
• 氢给体数：
  8
• 氢受体数：
  10