26,27,28,41-Tetrahydroxy-25-(hydroxymethyl)-39-[[3-(hydroxymethyl)phenyl]methyl]-36,42-dioxospiro[30,44-dioxa-3,4-dithia-6,8-diazaundecacyclo[29.10.2.111,23.125,29.01,37.07,19.010,20.013,21.016,21.022,27.035,43]pentatetraconta-7(19),10(20),31,33,35(43),38,40-heptaene-15,2'-cyclopentane]-1'-carbaldehyde

• 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: 26,27,28,41-Tetrahydroxy-25-(hydroxymethyl)-39-[[3-(hydroxymethyl)phenyl]methyl]-36,42-dioxospiro[30,44-dioxa-3,4-dithia-6,8-diazaundecacyclo[29.10.2.111,23.125,29.01,37.07,19.010,20.013,21.016,21.022,27.035,43]pentatetraconta-7(19),10(20),31,33,35(43),38,40-heptaene-15,2'-cyclopentane]-1'-carbaldehyde
• 英文别名: 26,27,28,41-tetrahydroxy-25-(hydroxymethyl)-39-[[3-(hydroxymethyl)phenyl]methyl]-36,42-dioxospiro[30,44-dioxa-3,4-dithia-6,8-diazaundecacyclo[29.10.2.111,23.125,29.01,37.07,19.010,20.013,21.016,21.022,27.035,43]pentatetraconta-7(19),10(20),31,33,35(43),38,40-heptaene-15,2'-cyclopentane]-1'-carbaldehyde
• 化学式: C₅₃H₅₈N₂O₁₁S₂
• 分子量: 963.2
• InChiKey: BXCCCFHRDSTXSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  68
• 可旋转键数：
  5
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  266
• 氢给体数：
  8
• 氢受体数：
  15