[53-Amino-34-benzyl-54-ethyl-9,38-dihydroxy-11-(hydroxymethoxy)-43-(hydroxymethyl)-44-(methoxymethyl)-18,36-dioxa-32,33-dithia-25,41,52-triazatetradecacyclo[43.11.7.12,5.15,13.116,19.120,39.126,30.158,62.07,12.021,37.024,35.051,56.017,68.048,65]nonahexaconta-7(12),8,10,13(68),14,16,20,22,37,39(65),51(56),54,58,60,62(64)-pentadecaen-46,49-diyn-67-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: [53-Amino-34-benzyl-54-ethyl-9,38-dihydroxy-11-(hydroxymethoxy)-43-(hydroxymethyl)-44-(methoxymethyl)-18,36-dioxa-32,33-dithia-25,41,52-triazatetradecacyclo[43.11.7.12,5.15,13.116,19.120,39.126,30.158,62.07,12.021,37.024,35.051,56.017,68.048,65]nonahexaconta-7(12),8,10,13(68),14,16,20,22,37,39(65),51(56),54,58,60,62(64)-pentadecaen-46,49-diyn-67-yl]methyl acetate
• 英文别名: [53-amino-34-benzyl-54-ethyl-9,38-dihydroxy-11-(hydroxymethoxy)-43-(hydroxymethyl)-44-(methoxymethyl)-18,36-dioxa-32,33-dithia-25,41,52-triazatetradecacyclo[43.11.7.12,5.15,13.116,19.120,39.126,30.158,62.07,12.021,37.024,35.051,56.017,68.048,65]nonahexaconta-7(12),8,10,13(68),14,16,20,22,37,39(65),51(56),54,58,60,62(64)-pentadecaen-46,49-diyn-67-yl]methyl acetate
• 化学式: C₇₈H₈₆N₄O₁₀S₂
• 分子量: 1303.7
• InChiKey: GATOZDHUSXUMJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.7
• 重原子数：
  94
• 可旋转键数：
  11
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  257
• 氢给体数：
  8
• 氢受体数：
  16