[60-Amino-41-benzyl-6,16,45-trihydroxy-18-(hydroxymethoxy)-50-(hydroxymethyl)-51-(methoxymethyl)-25,43-dioxa-39,40-dithia-32,48,59-triazahexadecacyclo[50.12.6.19,12.112,20.123,26.127,46.133,37.165,69.01,6.09,64.014,19.028,44.031,42.058,63.024,75.055,72]hexaheptaconta-7,14(19),15,17,20(75),21,23,27,29,44,46(72),58(63),61,65,67,69(71)-hexadecaen-53,56-diyn-74-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: [60-Amino-41-benzyl-6,16,45-trihydroxy-18-(hydroxymethoxy)-50-(hydroxymethyl)-51-(methoxymethyl)-25,43-dioxa-39,40-dithia-32,48,59-triazahexadecacyclo[50.12.6.19,12.112,20.123,26.127,46.133,37.165,69.01,6.09,64.014,19.028,44.031,42.058,63.024,75.055,72]hexaheptaconta-7,14(19),15,17,20(75),21,23,27,29,44,46(72),58(63),61,65,67,69(71)-hexadecaen-53,56-diyn-74-yl]methyl acetate
• 英文别名: [60-amino-41-benzyl-6,16,45-trihydroxy-18-(hydroxymethoxy)-50-(hydroxymethyl)-51-(methoxymethyl)-25,43-dioxa-39,40-dithia-32,48,59-triazahexadecacyclo[50.12.6.19,12.112,20.123,26.127,46.133,37.165,69.01,6.09,64.014,19.028,44.031,42.058,63.024,75.055,72]hexaheptaconta-7,14(19),15,17,20(75),21,23,27,29,44,46(72),58(63),61,65,67,69(71)-hexadecaen-53,56-diyn-74-yl]methyl acetate
• 化学式: C₈₃H₉₀N₄O₁₁S₂
• 分子量: 1383.8
• InChiKey: XYYZLNBZIJWYPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11
• 重原子数：
  100
• 可旋转键数：
  10
• 环数：
  17.0
• 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