9-[[15-[[1-[15-[Carboxy(hydroxy)methyl]-20-(3-carboxy-3-hydroxypropanoyl)oxy-24,28,30-trihydroxy-19,23,25,27,29,34-hexamethyl-13,16-dioxo-17,36-dioxa-14-azabicyclo[30.3.1]hexatriaconta-3,5,9,11,22,26-hexaen-18-yl]-2-hydroxypropyl]amino]-3,5,9,13-tetrahydroxy-2,6,8,10,14-pentamethyl-15-oxopentadec-7-en-4-yl]amino]-3-hydroxy-2,2,4,6,6-pentamethyl-5,9-dioxonon-7-enoic 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: 9-[[15-[[1-[15-[Carboxy(hydroxy)methyl]-20-(3-carboxy-3-hydroxypropanoyl)oxy-24,28,30-trihydroxy-19,23,25,27,29,34-hexamethyl-13,16-dioxo-17,36-dioxa-14-azabicyclo[30.3.1]hexatriaconta-3,5,9,11,22,26-hexaen-18-yl]-2-hydroxypropyl]amino]-3,5,9,13-tetrahydroxy-2,6,8,10,14-pentamethyl-15-oxopentadec-7-en-4-yl]amino]-3-hydroxy-2,2,4,6,6-pentamethyl-5,9-dioxonon-7-enoic acid
• 英文别名: 9-[[15-[[1-[15-[carboxy(hydroxy)methyl]-20-(3-carboxy-3-hydroxypropanoyl)oxy-24,28,30-trihydroxy-19,23,25,27,29,34-hexamethyl-13,16-dioxo-17,36-dioxa-14-azabicyclo[30.3.1]hexatriaconta-3,5,9,11,22,26-hexaen-18-yl]-2-hydroxypropyl]amino]-3,5,9,13-tetrahydroxy-2,6,8,10,14-pentamethyl-15-oxopentadec-7-en-4-yl]amino]-3-hydroxy-2,2,4,6,6-pentamethyl-5,9-dioxonon-7-enoic acid
• 化学式: C₈₂H₁₃₁N₃O₂₆
• 分子量: 1574.9
• InChiKey: YZIRTICOWWTWCJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  111
• 可旋转键数：
  30
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  501
• 氢给体数：
  17
• 氢受体数：
  26