[56-Amino-12-benzyl-55-ethyl-8,37,47-trihydroxy-35-(hydroxymethoxy)-3-(hydroxymethyl)-2-(methoxymethyl)-10,28-dioxa-13,14-dithia-5,21,57-triazaheptadecacyclo[56.9.5.17,70.116,20.127,30.129,33.141,44.162,66.09,25.011,22.034,39.044,60.047,61.051,61.054,59.026,73.041,76]octaheptaconta-7(73),8,23,25,29,31,33(76),34(39),35,37,45,52,54,58,62,64,66(74)-heptadecaen-68,71-diyn-77-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: [56-Amino-12-benzyl-55-ethyl-8,37,47-trihydroxy-35-(hydroxymethoxy)-3-(hydroxymethyl)-2-(methoxymethyl)-10,28-dioxa-13,14-dithia-5,21,57-triazaheptadecacyclo[56.9.5.17,70.116,20.127,30.129,33.141,44.162,66.09,25.011,22.034,39.044,60.047,61.051,61.054,59.026,73.041,76]octaheptaconta-7(73),8,23,25,29,31,33(76),34(39),35,37,45,52,54,58,62,64,66(74)-heptadecaen-68,71-diyn-77-yl]methyl acetate
• 英文别名: [56-amino-12-benzyl-55-ethyl-8,37,47-trihydroxy-35-(hydroxymethoxy)-3-(hydroxymethyl)-2-(methoxymethyl)-10,28-dioxa-13,14-dithia-5,21,57-triazaheptadecacyclo[56.9.5.17,70.116,20.127,30.129,33.141,44.162,66.09,25.011,22.034,39.044,60.047,61.051,61.054,59.026,73.041,76]octaheptaconta-7(73),8,23,25,29,31,33(76),34(39),35,37,45,52,54,58,62,64,66(74)-heptadecaen-68,71-diyn-77-yl]methyl acetate
• 化学式: C₈₇H₉₄N₄O₁₁S₂
• 分子量: 1435.8
• InChiKey: HIXWXNHCQVZQHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.2
• 重原子数：
  104
• 可旋转键数：
  11
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  277
• 氢给体数：
  9
• 氢受体数：
  17