2-[34-(Diaminomethylideneamino)-19-(3,4-dihydronaphthalen-2-yl)-20,23,30,38-tetrahydroxy-37-(2-hydroxyethyl)-2,13,17-trimethyl-4,14-dioxo-31-undecacyclo[28.6.2.122,26.01,24.02,7.05,17.06,20.07,23.013,18.025,29.034,38]nonatriaconta-5,21,25,28,35-pentaen-10-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-[34-(Diaminomethylideneamino)-19-(3,4-dihydronaphthalen-2-yl)-20,23,30,38-tetrahydroxy-37-(2-hydroxyethyl)-2,13,17-trimethyl-4,14-dioxo-31-undecacyclo[28.6.2.122,26.01,24.02,7.05,17.06,20.07,23.013,18.025,29.034,38]nonatriaconta-5,21,25,28,35-pentaen-10-ynylidene]propanoic acid
• 英文别名: 2-[34-(diaminomethylideneamino)-19-(3,4-dihydronaphthalen-2-yl)-20,23,30,38-tetrahydroxy-37-(2-hydroxyethyl)-2,13,17-trimethyl-4,14-dioxo-31-undecacyclo[28.6.2.122,26.01,24.02,7.05,17.06,20.07,23.013,18.025,29.034,38]nonatriaconta-5,21,25,28,35-pentaen-10-ynylidene]propanoic acid
• 化学式: C₅₈H₆₃N₃O₉
• 分子量: 946.1
• InChiKey: YOOHSYBHQXRHBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  70
• 可旋转键数：
  5
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  237
• 氢给体数：
  8
• 氢受体数：
  10