[52-Amino-7-benzyl-3,32,42-trihydroxy-30-(hydroxymethoxy)-75-(hydroxymethyl)-76-(methoxymethyl)-5,23-dioxa-8,9-dithia-16,53,73-triazaoctadecacyclo[58.12.4.12,57.111,15.122,25.124,28.136,39.04,20.06,17.029,34.039,48.042,47.047,64.049,54.062,67.070,74.021,77.036,79]henoctaconta-2(77),3,18,20,24,26,28(79),29(34),30,32,40,49(54),50,62(67),63,65,71-heptadecaen-55,58-diyn-80-yl]methyl acetate

• 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: [52-Amino-7-benzyl-3,32,42-trihydroxy-30-(hydroxymethoxy)-75-(hydroxymethyl)-76-(methoxymethyl)-5,23-dioxa-8,9-dithia-16,53,73-triazaoctadecacyclo[58.12.4.12,57.111,15.122,25.124,28.136,39.04,20.06,17.029,34.039,48.042,47.047,64.049,54.062,67.070,74.021,77.036,79]henoctaconta-2(77),3,18,20,24,26,28(79),29(34),30,32,40,49(54),50,62(67),63,65,71-heptadecaen-55,58-diyn-80-yl]methyl acetate
• 英文别名: [52-amino-7-benzyl-3,32,42-trihydroxy-30-(hydroxymethoxy)-75-(hydroxymethyl)-76-(methoxymethyl)-5,23-dioxa-8,9-dithia-16,53,73-triazaoctadecacyclo[58.12.4.12,57.111,15.122,25.124,28.136,39.04,20.06,17.029,34.039,48.042,47.047,64.049,54.062,67.070,74.021,77.036,79]henoctaconta-2(77),3,18,20,24,26,28(79),29(34),30,32,40,49(54),50,62(67),63,65,71-heptadecaen-55,58-diyn-80-yl]methyl acetate
• 化学式: C₈₈H₉₄N₄O₁₁S₂
• 分子量: 1447.8
• InChiKey: ULOXBAIKJOKSBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.1
• 重原子数：
  105
• 可旋转键数：
  10
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  277
• 氢给体数：
  9
• 氢受体数：
  17