1-(1-Hydroxyethyl)-2-[[2,28,34,35-tetrahydroxy-19-imidazol-1-yl-17,17,27,37-tetramethyl-33-(methylaminomethyl)-31-oxospiro[21,22-dithiadecacyclo[24.17.0.03,16.04,9.05,43.010,15.024,28.027,40.029,38.032,37]tritetraconta-4(9),15,29-triene-11,1'-cyclopentane]-39-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-[[2,28,34,35-tetrahydroxy-19-imidazol-1-yl-17,17,27,37-tetramethyl-33-(methylaminomethyl)-31-oxospiro[21,22-dithiadecacyclo[24.17.0.03,16.04,9.05,43.010,15.024,28.027,40.029,38.032,37]tritetraconta-4(9),15,29-triene-11,1'-cyclopentane]-39-yl]methyl]guanidine
• 英文别名: 1-(1-hydroxyethyl)-2-[[2,28,34,35-tetrahydroxy-19-imidazol-1-yl-17,17,27,37-tetramethyl-33-(methylaminomethyl)-31-oxospiro[21,22-dithiadecacyclo[24.17.0.03,16.04,9.05,43.010,15.024,28.027,40.029,38.032,37]tritetraconta-4(9),15,29-triene-11,1'-cyclopentane]-39-yl]methyl]guanidine
• 化学式: C₅₈H₈₆N₆O₆S₂
• 分子量: 1027.5
• InChiKey: DDEDWDDEKAOGNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  72
• 可旋转键数：
  7
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  249
• 氢给体数：
  8
• 氢受体数：
  11