24,25,42,46-Tetrahydroxy-26-(hydroxymethyl)-40-[[3-(hydroxymethyl)phenyl]methyl]-37,43-dioxospiro[31,45-dioxa-3,4-dithia-10,48-diazatridecacyclo[30.10.2.15,9.17,15.124,30.126,30.01,38.08,13.012,20.014,18.014,23.022,27.036,44]octatetraconta-7(47),8,12,32,34,36(44),39,41-octaene-16,2'-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: 24,25,42,46-Tetrahydroxy-26-(hydroxymethyl)-40-[[3-(hydroxymethyl)phenyl]methyl]-37,43-dioxospiro[31,45-dioxa-3,4-dithia-10,48-diazatridecacyclo[30.10.2.15,9.17,15.124,30.126,30.01,38.08,13.012,20.014,18.014,23.022,27.036,44]octatetraconta-7(47),8,12,32,34,36(44),39,41-octaene-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-10,48-diazatridecacyclo[30.10.2.15,9.17,15.124,30.126,30.01,38.08,13.012,20.014,18.014,23.022,27.036,44]octatetraconta-7(47),8,12,32,34,36(44),39,41-octaene-16,2'-cyclopentane]-1'-carbaldehyde
• 化学式: C₅₆H₅₈N₂O₁₁S₂
• 分子量: 999.2
• InChiKey: CTRUAYMIQFCHHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  71
• 可旋转键数：
  5
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  266
• 氢给体数：
  8
• 氢受体数：
  15