3',18-Dibenzyl-26,27,44,58,60-pentahydroxy-17-[4-hydroxy-2-(hydroxymethyl)-5-methoxyphenyl]spiro[53,54-dithia-5-azapentadecacyclo[43.10.2.110,51.112,47.114,22.02,33.04,23.06,21.011,49.023,32.024,29.030,35.033,41.035,39.042,56]hexaconta-1(56),11(49),12(59),24,26,28,40,45(57),47-nonaen-8,19-diyne-46,1'-cyclohexane]-15-one

• 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: 3',18-Dibenzyl-26,27,44,58,60-pentahydroxy-17-[4-hydroxy-2-(hydroxymethyl)-5-methoxyphenyl]spiro[53,54-dithia-5-azapentadecacyclo[43.10.2.110,51.112,47.114,22.02,33.04,23.06,21.011,49.023,32.024,29.030,35.033,41.035,39.042,56]hexaconta-1(56),11(49),12(59),24,26,28,40,45(57),47-nonaen-8,19-diyne-46,1'-cyclohexane]-15-one
• 英文别名: 3',18-dibenzyl-26,27,44,58,60-pentahydroxy-17-[4-hydroxy-2-(hydroxymethyl)-5-methoxyphenyl]spiro[53,54-dithia-5-azapentadecacyclo[43.10.2.110,51.112,47.114,22.02,33.04,23.06,21.011,49.023,32.024,29.030,35.033,41.035,39.042,56]hexaconta-1(56),11(49),12(59),24,26,28,40,45(57),47-nonaen-8,19-diyne-46,1'-cyclohexane]-15-one
• 化学式: C₈₄H₈₇NO₉S₂
• 分子量: 1318.7
• InChiKey: AAZIFQMZWDYEMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.5
• 重原子数：
  96
• 可旋转键数：
  7
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  231
• 氢给体数：
  8
• 氢受体数：
  12