2,25,32,38,42,51,52-Heptahydroxy-10,51-bis(hydroxymethyl)-21-(3-methoxypropyl)-49-methyl-42-[3-(3-methylbutan-2-yl)oxiran-2-yl]-3,4-dithia-22,29-diazatridecacyclo[36.15.3.118,21.126,29.130,34.01,49.06,27.010,27.013,26.014,24.037,41.037,46.048,56]nonapentaconta-11,30,32,34(57),44,55-hexaen-15-yne-28,54-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: 2,25,32,38,42,51,52-Heptahydroxy-10,51-bis(hydroxymethyl)-21-(3-methoxypropyl)-49-methyl-42-[3-(3-methylbutan-2-yl)oxiran-2-yl]-3,4-dithia-22,29-diazatridecacyclo[36.15.3.118,21.126,29.130,34.01,49.06,27.010,27.013,26.014,24.037,41.037,46.048,56]nonapentaconta-11,30,32,34(57),44,55-hexaen-15-yne-28,54-dione
• 英文别名: 2,25,32,38,42,51,52-heptahydroxy-10,51-bis(hydroxymethyl)-21-(3-methoxypropyl)-49-methyl-42-[3-(3-methylbutan-2-yl)oxiran-2-yl]-3,4-dithia-22,29-diazatridecacyclo[36.15.3.118,21.126,29.130,34.01,49.06,27.010,27.013,26.014,24.037,41.037,46.048,56]nonapentaconta-11,30,32,34(57),44,55-hexaen-15-yne-28,54-dione
• 化学式: C₆₉H₉₄N₂O₁₃S₂
• 分子量: 1223.6
• InChiKey: GGKPFGPUMHHQJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  86
• 可旋转键数：
  9
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  304
• 氢给体数：
  10
• 氢受体数：
  16