21,22,37,40-Tetrahydroxy-23-(hydroxymethyl)-35-[[3-(hydroxymethyl)phenyl]methyl]-32,38-dioxospiro[24,26-dioxa-3,4-dithia-6,8-diazanonacyclo[25.10.2.15,13.121,25.01,33.07,12.011,19.015,19.031,39]hentetraconta-7(12),10,13,27,29,31(39),34,36-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: 21,22,37,40-Tetrahydroxy-23-(hydroxymethyl)-35-[[3-(hydroxymethyl)phenyl]methyl]-32,38-dioxospiro[24,26-dioxa-3,4-dithia-6,8-diazanonacyclo[25.10.2.15,13.121,25.01,33.07,12.011,19.015,19.031,39]hentetraconta-7(12),10,13,27,29,31(39),34,36-octaene-16,2'-cyclopentane]-1'-carbaldehyde
• 英文别名: 21,22,37,40-tetrahydroxy-23-(hydroxymethyl)-35-[[3-(hydroxymethyl)phenyl]methyl]-32,38-dioxospiro[24,26-dioxa-3,4-dithia-6,8-diazanonacyclo[25.10.2.15,13.121,25.01,33.07,12.011,19.015,19.031,39]hentetraconta-7(12),10,13,27,29,31(39),34,36-octaene-16,2'-cyclopentane]-1'-carbaldehyde
• 化学式: C₄₉H₅₂N₂O₁₁S₂
• 分子量: 909.1
• InChiKey: KMSKDLJLVQUFMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  64
• 可旋转键数：
  5
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  266
• 氢给体数：
  8
• 氢受体数：
  15