[30-Amino-10-(dihydroxymethyl)-4,12,36-trihydroxyspiro[14-oxa-25,26-dithia-18,29,31,42-tetrazaheptacyclo[19.15.4.319,24.19,13.115,19.01,32.07,39]pentatetraconta-9(45),10,12,30,33-pentaen-22,37-diyne-28,2'-pentacyclo[9.7.0.01,15.04,8.04,12]octadec-9-ene]-6-yl] acetate

• 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: [30-Amino-10-(dihydroxymethyl)-4,12,36-trihydroxyspiro[14-oxa-25,26-dithia-18,29,31,42-tetrazaheptacyclo[19.15.4.319,24.19,13.115,19.01,32.07,39]pentatetraconta-9(45),10,12,30,33-pentaen-22,37-diyne-28,2'-pentacyclo[9.7.0.01,15.04,8.04,12]octadec-9-ene]-6-yl] acetate
• 英文别名: [30-amino-10-(dihydroxymethyl)-4,12,36-trihydroxyspiro[14-oxa-25,26-dithia-18,29,31,42-tetrazaheptacyclo[19.15.4.319,24.19,13.115,19.01,32.07,39]pentatetraconta-9(45),10,12,30,33-pentaen-22,37-diyne-28,2'-pentacyclo[9.7.0.01,15.04,8.04,12]octadec-9-ene]-6-yl] acetate
• 化学式: C₅₈H₇₇N₅O₈S₂
• 分子量: 1036.4
• InChiKey: KFWSMSWXXYXKER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  73
• 可旋转键数：
  3
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  262
• 氢给体数：
  9
• 氢受体数：
  13