1-(1-Hydroxyethyl)-2-[[3,9,10,20-tetrahydroxy-2-(hydroxymethyl)-25-imidazol-1-yl-12,23,23-trimethyl-8-(methylaminomethyl)-6-oxo-22-spiro[4.5]decan-9-ylidene-27,28-dithiahexacyclo[17.12.0.02,15.03,30.04,13.07,12]hentriacont-4-en-14-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-[[3,9,10,20-tetrahydroxy-2-(hydroxymethyl)-25-imidazol-1-yl-12,23,23-trimethyl-8-(methylaminomethyl)-6-oxo-22-spiro[4.5]decan-9-ylidene-27,28-dithiahexacyclo[17.12.0.02,15.03,30.04,13.07,12]hentriacont-4-en-14-yl]methyl]guanidine
• 英文别名: 1-(1-hydroxyethyl)-2-[[3,9,10,20-tetrahydroxy-2-(hydroxymethyl)-25-imidazol-1-yl-12,23,23-trimethyl-8-(methylaminomethyl)-6-oxo-22-spiro[4.5]decan-9-ylidene-27,28-dithiahexacyclo[17.12.0.02,15.03,30.04,13.07,12]hentriacont-4-en-14-yl]methyl]guanidine
• 化学式: C₅₂H₈₂N₆O₇S₂
• 分子量: 967.4
• InChiKey: SNLQGWGKELDCER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  67
• 可旋转键数：
  8
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  269
• 氢给体数：
  9
• 氢受体数：
  12