2-[[40-Cyclohexyl-3,31,37,38-tetrahydroxy-25-imidazol-1-yl-23,23,44-trimethyl-36-(methylaminomethyl)-34-oxo-27,28-dithiaundecacyclo[28.14.1.12,6.112,19.04,22.05,10.011,21.012,16.031,44.032,41.035,40]heptatetraconta-5(10),21,32-trien-42-yl]methyl]-1-(1-hydroxyethyl)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-[[40-Cyclohexyl-3,31,37,38-tetrahydroxy-25-imidazol-1-yl-23,23,44-trimethyl-36-(methylaminomethyl)-34-oxo-27,28-dithiaundecacyclo[28.14.1.12,6.112,19.04,22.05,10.011,21.012,16.031,44.032,41.035,40]heptatetraconta-5(10),21,32-trien-42-yl]methyl]-1-(1-hydroxyethyl)guanidine
• 英文别名: 2-[[40-cyclohexyl-3,31,37,38-tetrahydroxy-25-imidazol-1-yl-23,23,44-trimethyl-36-(methylaminomethyl)-34-oxo-27,28-dithiaundecacyclo[28.14.1.12,6.112,19.04,22.05,10.011,21.012,16.031,44.032,41.035,40]heptatetraconta-5(10),21,32-trien-42-yl]methyl]-1-(1-hydroxyethyl)guanidine
• 化学式: C₆₃H₉₄N₆O₆S₂
• 分子量: 1095.6
• InChiKey: MHZUHOWXBBOAKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  77
• 可旋转键数：
  8
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  249
• 氢给体数：
  8
• 氢受体数：
  11