3',34-Dibenzyl-8,25,26,47,56-pentahydroxy-35-[4-hydroxy-2-(hydroxymethyl)-5-methoxyphenyl]spiro[53-azapentadecacyclo[28.23.3.17,42.140,44.01,29.03,19.05,10.011,19.013,17.017,22.020,29.023,28.031,52.038,56.048,57]octapentaconta-4,6,11,23,25,27,40,42,44(57)-nonaen-32,49-diyne-58,1'-cyclohexane]-37-one

• 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: 3',34-Dibenzyl-8,25,26,47,56-pentahydroxy-35-[4-hydroxy-2-(hydroxymethyl)-5-methoxyphenyl]spiro[53-azapentadecacyclo[28.23.3.17,42.140,44.01,29.03,19.05,10.011,19.013,17.017,22.020,29.023,28.031,52.038,56.048,57]octapentaconta-4,6,11,23,25,27,40,42,44(57)-nonaen-32,49-diyne-58,1'-cyclohexane]-37-one
• 英文别名: 3',34-dibenzyl-8,25,26,47,56-pentahydroxy-35-[4-hydroxy-2-(hydroxymethyl)-5-methoxyphenyl]spiro[53-azapentadecacyclo[28.23.3.17,42.140,44.01,29.03,19.05,10.011,19.013,17.017,22.020,29.023,28.031,52.038,56.048,57]octapentaconta-4,6,11,23,25,27,40,42,44(57)-nonaen-32,49-diyne-58,1'-cyclohexane]-37-one
• 化学式: C₈₄H₈₇NO₉
• 分子量: 1254.6
• InChiKey: DEJQOFMOZRIEQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12
• 重原子数：
  94
• 可旋转键数：
  7
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  180
• 氢给体数：
  8
• 氢受体数：
  10