7,11,17,23,61,64,65-Heptahydroxy-55,65-bis(hydroxymethyl)-67-methyl-7-[3-(3-methylbutan-2-yl)oxiran-2-yl]-37-oxa-59,60-dithia-20,73-diazaoctadecacyclo[60.5.3.115,19.120,56.133,45.153,57.03,12.08,12.011,68.022,48.022,56.023,46.026,45.028,33.034,43.036,41.050,55.062,67]tetraheptaconta-4,15(74),16,18,24,26,39,41,49,51,68-undecaene-70,72-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: 7,11,17,23,61,64,65-Heptahydroxy-55,65-bis(hydroxymethyl)-67-methyl-7-[3-(3-methylbutan-2-yl)oxiran-2-yl]-37-oxa-59,60-dithia-20,73-diazaoctadecacyclo[60.5.3.115,19.120,56.133,45.153,57.03,12.08,12.011,68.022,48.022,56.023,46.026,45.028,33.034,43.036,41.050,55.062,67]tetraheptaconta-4,15(74),16,18,24,26,39,41,49,51,68-undecaene-70,72-dione
• 英文别名: 7,11,17,23,61,64,65-heptahydroxy-55,65-bis(hydroxymethyl)-67-methyl-7-[3-(3-methylbutan-2-yl)oxiran-2-yl]-37-oxa-59,60-dithia-20,73-diazaoctadecacyclo[60.5.3.115,19.120,56.133,45.153,57.03,12.08,12.011,68.022,48.022,56.023,46.026,45.028,33.034,43.036,41.050,55.062,67]tetraheptaconta-4,15(74),16,18,24,26,39,41,49,51,68-undecaene-70,72-dione
• 化学式: C₇₉H₉₈N₂O₁₃S₂
• 分子量: 1347.8
• InChiKey: UKPNLHKJEWILIX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  96
• 可旋转键数：
  5
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  304
• 氢给体数：
  10
• 氢受体数：
  16