2-[2-[28-Amino-4-cyclohexyl-3'-(1,7-dihydroxy-10-methyl-6-methylideneundeca-2,4,9-trien-2-yl)-2',8,13,22-tetrahydroxy-8-methyl-3,26-dioxospiro[24,27-diazapentacyclo[23.7.1.115,19.05,10.029,33]tetratriaconta-1(33),4,15(34),16,18,29,31-heptaene-9,1'-cyclopentane]-21-yl]-2-(4-hydroxyphenyl)ethyl]guanidine

• 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-[2-[28-Amino-4-cyclohexyl-3'-(1,7-dihydroxy-10-methyl-6-methylideneundeca-2,4,9-trien-2-yl)-2',8,13,22-tetrahydroxy-8-methyl-3,26-dioxospiro[24,27-diazapentacyclo[23.7.1.115,19.05,10.029,33]tetratriaconta-1(33),4,15(34),16,18,29,31-heptaene-9,1'-cyclopentane]-21-yl]-2-(4-hydroxyphenyl)ethyl]guanidine
• 英文别名: 2-[2-[28-amino-4-cyclohexyl-3'-(1,7-dihydroxy-10-methyl-6-methylideneundeca-2,4,9-trien-2-yl)-2',8,13,22-tetrahydroxy-8-methyl-3,26-dioxospiro[24,27-diazapentacyclo[23.7.1.115,19.05,10.029,33]tetratriaconta-1(33),4,15(34),16,18,29,31-heptaene-9,1'-cyclopentane]-21-yl]-2-(4-hydroxyphenyl)ethyl]guanidine
• 化学式: C₆₅H₈₈N₆O₉
• 分子量: 1097.4
• InChiKey: XIDABDMLGQKFPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  80
• 可旋转键数：
  12
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  290
• 氢给体数：
  12
• 氢受体数：
  12