3',5-Dibenzyl-10,15,16,45,67-pentahydroxy-6-[4-hydroxy-2-(hydroxymethyl)-5-methoxyphenyl]spiro[60-azaoctadecacyclo[42.16.3.231,34.252,55.136,40.02,11.09,41.012,21.012,59.013,18.019,24.022,30.022,57.024,28.032,56.038,47.039,44.048,53]octahexaconta-13,15,17,29,32(56),33,36,38,40(66),42,48,50,52,54,64-pentadecaen-3,62-diyne-35,1'-cyclohexane]-8-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',5-Dibenzyl-10,15,16,45,67-pentahydroxy-6-[4-hydroxy-2-(hydroxymethyl)-5-methoxyphenyl]spiro[60-azaoctadecacyclo[42.16.3.231,34.252,55.136,40.02,11.09,41.012,21.012,59.013,18.019,24.022,30.022,57.024,28.032,56.038,47.039,44.048,53]octahexaconta-13,15,17,29,32(56),33,36,38,40(66),42,48,50,52,54,64-pentadecaen-3,62-diyne-35,1'-cyclohexane]-8-one
• 英文别名: 3',5-dibenzyl-10,15,16,45,67-pentahydroxy-6-[4-hydroxy-2-(hydroxymethyl)-5-methoxyphenyl]spiro[60-azaoctadecacyclo[42.16.3.231,34.252,55.136,40.02,11.09,41.012,21.012,59.013,18.019,24.022,30.022,57.024,28.032,56.038,47.039,44.048,53]octahexaconta-13,15,17,29,32(56),33,36,38,40(66),42,48,50,52,54,64-pentadecaen-3,62-diyne-35,1'-cyclohexane]-8-one
• 化学式: C₉₄H₈₉NO₉
• 分子量: 1376.7
• InChiKey: PZXARFQPYCJXMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.2
• 重原子数：
  104
• 可旋转键数：
  7
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  180
• 氢给体数：
  8
• 氢受体数：
  10