1-(1-Hydroxyethyl)-2-[[2,28,40,41-tetrahydroxy-3-(hydroxymethyl)-11-imidazol-1-yl-13,13-dimethyl-42-(methylaminomethyl)-44-oxospiro[8,9-dithiaundecacyclo[32.11.1.02,6.03,33.04,29.014,27.015,20.021,26.025,30.038,43.038,46]hexatetraconta-1(45),14,21(26)-triene-19,1'-cyclopentane]-34-yl]methyl]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: 1-(1-Hydroxyethyl)-2-[[2,28,40,41-tetrahydroxy-3-(hydroxymethyl)-11-imidazol-1-yl-13,13-dimethyl-42-(methylaminomethyl)-44-oxospiro[8,9-dithiaundecacyclo[32.11.1.02,6.03,33.04,29.014,27.015,20.021,26.025,30.038,43.038,46]hexatetraconta-1(45),14,21(26)-triene-19,1'-cyclopentane]-34-yl]methyl]guanidine
• 英文别名: 1-(1-hydroxyethyl)-2-[[2,28,40,41-tetrahydroxy-3-(hydroxymethyl)-11-imidazol-1-yl-13,13-dimethyl-42-(methylaminomethyl)-44-oxospiro[8,9-dithiaundecacyclo[32.11.1.02,6.03,33.04,29.014,27.015,20.021,26.025,30.038,43.038,46]hexatetraconta-1(45),14,21(26)-triene-19,1'-cyclopentane]-34-yl]methyl]guanidine
• 化学式: C₆₀H₈₈N₆O₇S₂
• 分子量: 1069.5
• InChiKey: HIYAUIAKDRZZMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  75
• 可旋转键数：
  8
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  269
• 氢给体数：
  9
• 氢受体数：
  12