[59-Amino-36-benzyl-11,40-dihydroxy-13-(hydroxymethoxy)-45-(hydroxymethyl)-46-(methoxymethyl)-20,38-dioxa-34,35-dithia-27,43,60-triazapentadecacyclo[45.13.5.14,7.17,15.118,21.122,63.128,32.149,53.02,57.03,54.09,14.023,39.026,37.019,70.041,66]henheptaconta-1,9(14),10,12,15(70),16,18,22,24,39,41(66),49(67),50,52,57-pentadecaen-61,64-diyn-69-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: [59-Amino-36-benzyl-11,40-dihydroxy-13-(hydroxymethoxy)-45-(hydroxymethyl)-46-(methoxymethyl)-20,38-dioxa-34,35-dithia-27,43,60-triazapentadecacyclo[45.13.5.14,7.17,15.118,21.122,63.128,32.149,53.02,57.03,54.09,14.023,39.026,37.019,70.041,66]henheptaconta-1,9(14),10,12,15(70),16,18,22,24,39,41(66),49(67),50,52,57-pentadecaen-61,64-diyn-69-yl]methyl acetate
• 英文别名: [59-amino-36-benzyl-11,40-dihydroxy-13-(hydroxymethoxy)-45-(hydroxymethyl)-46-(methoxymethyl)-20,38-dioxa-34,35-dithia-27,43,60-triazapentadecacyclo[45.13.5.14,7.17,15.118,21.122,63.128,32.149,53.02,57.03,54.09,14.023,39.026,37.019,70.041,66]henheptaconta-1,9(14),10,12,15(70),16,18,22,24,39,41(66),49(67),50,52,57-pentadecaen-61,64-diyn-69-yl]methyl acetate
• 化学式: C₇₈H₈₄N₄O₁₀S₂
• 分子量: 1301.7
• InChiKey: HDVINHWIYOISTR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.3
• 重原子数：
  94
• 可旋转键数：
  10
• 环数：
  16.0
• 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