11,15,21,34,39,40,43-Heptahydroxy-28,40-bis(hydroxymethyl)-42-methyl-11-[3-(3-methylbutan-2-yl)oxiran-2-yl]spiro[44,45-dithia-24-azadecacyclo[31.9.3.119,23.124,27.01,38.04,15.05,42.07,16.012,16.027,32]heptatetraconta-3,8,19(47),20,22-pentaen-36-yne-35,1'-cyclohexane]-2,46-dione

• 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: 11,15,21,34,39,40,43-Heptahydroxy-28,40-bis(hydroxymethyl)-42-methyl-11-[3-(3-methylbutan-2-yl)oxiran-2-yl]spiro[44,45-dithia-24-azadecacyclo[31.9.3.119,23.124,27.01,38.04,15.05,42.07,16.012,16.027,32]heptatetraconta-3,8,19(47),20,22-pentaen-36-yne-35,1'-cyclohexane]-2,46-dione
• 英文别名: 11,15,21,34,39,40,43-heptahydroxy-28,40-bis(hydroxymethyl)-42-methyl-11-[3-(3-methylbutan-2-yl)oxiran-2-yl]spiro[44,45-dithia-24-azadecacyclo[31.9.3.119,23.124,27.01,38.04,15.05,42.07,16.012,16.027,32]heptatetraconta-3,8,19(47),20,22-pentaen-36-yne-35,1'-cyclohexane]-2,46-dione
• 化学式: C₅₉H₇₉NO₁₂S₂
• 分子量: 1058.4
• InChiKey: KORDURYBJYXGRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  74
• 可旋转键数：
  5
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  283
• 氢给体数：
  9
• 氢受体数：
  14