26,27,42,45-Tetrahydroxy-28-(hydroxymethyl)-40-[[3-(hydroxymethyl)phenyl]methyl]-29,31-dioxa-3,4-dithia-6,8-diazaundecacyclo[30.10.2.126,30.01,38.05,20.07,22.010,23.013,24.016,24.017,21.036,44]pentatetraconta-7(22),10(23),17,20,32,34,36(44),39,41-nonaene-37,43-dione

• 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: 26,27,42,45-Tetrahydroxy-28-(hydroxymethyl)-40-[[3-(hydroxymethyl)phenyl]methyl]-29,31-dioxa-3,4-dithia-6,8-diazaundecacyclo[30.10.2.126,30.01,38.05,20.07,22.010,23.013,24.016,24.017,21.036,44]pentatetraconta-7(22),10(23),17,20,32,34,36(44),39,41-nonaene-37,43-dione
• 英文别名: 26,27,42,45-tetrahydroxy-28-(hydroxymethyl)-40-[[3-(hydroxymethyl)phenyl]methyl]-29,31-dioxa-3,4-dithia-6,8-diazaundecacyclo[30.10.2.126,30.01,38.05,20.07,22.010,23.013,24.016,24.017,21.036,44]pentatetraconta-7(22),10(23),17,20,32,34,36(44),39,41-nonaene-37,43-dione
• 化学式: C₄₈H₄₈N₂O₁₀S₂
• 分子量: 877.0
• InChiKey: ONTSRKBJDIKACV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  62
• 可旋转键数：
  4
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  249
• 氢给体数：
  8
• 氢受体数：
  14