1-(1-Hydroxyethyl)-2-[[3,31,37,38-tetrahydroxy-44-(hydroxymethyl)-29-(3-hydroxypropyl)-25-imidazol-1-yl-23,23,40-trimethyl-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]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-[[3,31,37,38-tetrahydroxy-44-(hydroxymethyl)-29-(3-hydroxypropyl)-25-imidazol-1-yl-23,23,40-trimethyl-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]guanidine
• 英文别名: 1-(1-hydroxyethyl)-2-[[3,31,37,38-tetrahydroxy-44-(hydroxymethyl)-29-(3-hydroxypropyl)-25-imidazol-1-yl-23,23,40-trimethyl-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]guanidine
• 化学式: C₅₉H₈₇N₅O₈S₂
• 分子量: 1058.5
• InChiKey: HZZVVULSVPHSMG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  74
• 可旋转键数：
  9
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  278
• 氢给体数：
  9
• 氢受体数：
  12