24,25,42,46-Tetrahydroxy-26-(hydroxymethyl)-40-[[3-(hydroxymethyl)phenyl]methyl]-37,43-dioxospiro[31,45-dioxa-3,4-dithia-6,8-diazadodecacyclo[30.10.2.111,15.124,30.126,30.01,38.07,12.010,20.022,27.036,44.018,47.023,47]heptatetraconta-7(12),10,32,34,36(44),39,41-heptaene-16,2'-cyclopentane]-1'-carbaldehyde

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 24,25,42,46-Tetrahydroxy-26-(hydroxymethyl)-40-[[3-(hydroxymethyl)phenyl]methyl]-37,43-dioxospiro[31,45-dioxa-3,4-dithia-6,8-diazadodecacyclo[30.10.2.111,15.124,30.126,30.01,38.07,12.010,20.022,27.036,44.018,47.023,47]heptatetraconta-7(12),10,32,34,36(44),39,41-heptaene-16,2'-cyclopentane]-1'-carbaldehyde
• 英文别名: 24,25,42,46-tetrahydroxy-26-(hydroxymethyl)-40-[[3-(hydroxymethyl)phenyl]methyl]-37,43-dioxospiro[31,45-dioxa-3,4-dithia-6,8-diazadodecacyclo[30.10.2.111,15.124,30.126,30.01,38.07,12.010,20.022,27.036,44.018,47.023,47]heptatetraconta-7(12),10,32,34,36(44),39,41-heptaene-16,2'-cyclopentane]-1'-carbaldehyde
• 化学式: C₅₅H₆₀N₂O₁₁S₂
• 分子量: 989.2
• InChiKey: GQZXFAJVCJLPEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  70
• 可旋转键数：
  5
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  266
• 氢给体数：
  8
• 氢受体数：
  15