40-Benzyl-7-[1-(4,7-dihydroxynaphthalen-1-yl)-2,3,4,5,6-pentahydroxyhexan-2-yl]-24,47-diethyl-19-methyl-8,9,12,20-tetraoxa-23,27,58,60-tetrazaheptadecacyclo[32.21.4.229,32.238,41.110,14.123,26.125,28.132,36.145,52.02,11.04,52.011,53.013,22.016,21.034,56.043,51.044,48]octahexaconta-3,5,13(22),14,16(21),18,24,26(67),28(66),30,38,40,54,61-tetradecaene-17,59-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: 40-Benzyl-7-[1-(4,7-dihydroxynaphthalen-1-yl)-2,3,4,5,6-pentahydroxyhexan-2-yl]-24,47-diethyl-19-methyl-8,9,12,20-tetraoxa-23,27,58,60-tetrazaheptadecacyclo[32.21.4.229,32.238,41.110,14.123,26.125,28.132,36.145,52.02,11.04,52.011,53.013,22.016,21.034,56.043,51.044,48]octahexaconta-3,5,13(22),14,16(21),18,24,26(67),28(66),30,38,40,54,61-tetradecaene-17,59-dione
• 英文别名: 40-benzyl-7-[1-(4,7-dihydroxynaphthalen-1-yl)-2,3,4,5,6-pentahydroxyhexan-2-yl]-24,47-diethyl-19-methyl-8,9,12,20-tetraoxa-23,27,58,60-tetrazaheptadecacyclo[32.21.4.229,32.238,41.110,14.123,26.125,28.132,36.145,52.02,11.04,52.011,53.013,22.016,21.034,56.043,51.044,48]octahexaconta-3,5,13(22),14,16(21),18,24,26(67),28(66),30,38,40,54,61-tetradecaene-17,59-dione
• 化学式: C₈₈H₉₄N₄O₁₃
• 分子量: 1415.7
• InChiKey: MRWAKQRNLZMRDW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.3
• 重原子数：
  105
• 可旋转键数：
  11
• 环数：
  28.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  257
• 氢给体数：
  10
• 氢受体数：
  14