[41-Benzyl-6,16,45-trihydroxy-18-(hydroxymethoxy)-50-(hydroxymethyl)-51-(methoxymethyl)-64-methyl-25,43-dioxa-39,40-dithia-32,48,59,61-tetrazaheptadecacyclo[50.16.6.19,12.112,20.123,26.127,46.133,37.169,73.01,6.09,68.014,19.028,44.031,42.058,67.060,65.024,79.055,76]octaconta-7,14(19),15,17,20(79),21,23,27,29,44,46(76),58(67),65,69,71,73(75)-hexadecaen-53,56-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: [41-Benzyl-6,16,45-trihydroxy-18-(hydroxymethoxy)-50-(hydroxymethyl)-51-(methoxymethyl)-64-methyl-25,43-dioxa-39,40-dithia-32,48,59,61-tetrazaheptadecacyclo[50.16.6.19,12.112,20.123,26.127,46.133,37.169,73.01,6.09,68.014,19.028,44.031,42.058,67.060,65.024,79.055,76]octaconta-7,14(19),15,17,20(79),21,23,27,29,44,46(76),58(67),65,69,71,73(75)-hexadecaen-53,56-diyn-78-yl]methyl acetate
• 英文别名: [41-benzyl-6,16,45-trihydroxy-18-(hydroxymethoxy)-50-(hydroxymethyl)-51-(methoxymethyl)-64-methyl-25,43-dioxa-39,40-dithia-32,48,59,61-tetrazaheptadecacyclo[50.16.6.19,12.112,20.123,26.127,46.133,37.169,73.01,6.09,68.014,19.028,44.031,42.058,67.060,65.024,79.055,76]octaconta-7,14(19),15,17,20(79),21,23,27,29,44,46(76),58(67),65,69,71,73(75)-hexadecaen-53,56-diyn-78-yl]methyl acetate
• 化学式: C₈₇H₉₆N₄O₁₁S₂
• 分子量: 1437.8
• InChiKey: RBENVNKHOIZJKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.8
• 重原子数：
  104
• 可旋转键数：
  10
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  263
• 氢给体数：
  9
• 氢受体数：
  17