[54-Amino-9-benzyl-5,34-dihydroxy-32-(hydroxymethoxy)-73-(hydroxymethyl)-74-(methoxymethyl)-7,25-dioxa-10,11-dithia-2,18,55-triazaheptadecacyclo[60.10.2.14,59.113,17.124,27.126,30.138,41.06,22.08,19.031,36.041,50.044,49.049,66.051,56.064,69.023,75.038,77]nonaheptaconta-4(75),5,20,22,26,28,30(77),31(36),32,34,42,51(56),52,64(69),65,67-hexadecaen-57,60-diyn-78-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: [54-Amino-9-benzyl-5,34-dihydroxy-32-(hydroxymethoxy)-73-(hydroxymethyl)-74-(methoxymethyl)-7,25-dioxa-10,11-dithia-2,18,55-triazaheptadecacyclo[60.10.2.14,59.113,17.124,27.126,30.138,41.06,22.08,19.031,36.041,50.044,49.049,66.051,56.064,69.023,75.038,77]nonaheptaconta-4(75),5,20,22,26,28,30(77),31(36),32,34,42,51(56),52,64(69),65,67-hexadecaen-57,60-diyn-78-yl]methyl acetate
• 英文别名: [54-amino-9-benzyl-5,34-dihydroxy-32-(hydroxymethoxy)-73-(hydroxymethyl)-74-(methoxymethyl)-7,25-dioxa-10,11-dithia-2,18,55-triazaheptadecacyclo[60.10.2.14,59.113,17.124,27.126,30.138,41.06,22.08,19.031,36.041,50.044,49.049,66.051,56.064,69.023,75.038,77]nonaheptaconta-4(75),5,20,22,26,28,30(77),31(36),32,34,42,51(56),52,64(69),65,67-hexadecaen-57,60-diyn-78-yl]methyl acetate
• 化学式: C₈₆H₉₄N₄O₁₀S₂
• 分子量: 1407.8
• InChiKey: GKALLTYSQQUDKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.4
• 重原子数：
  102
• 可旋转键数：
  10
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  257
• 氢给体数：
  8
• 氢受体数：
  16