22,23,24,37-Tetrahydroxy-21-(hydroxymethyl)-35-[[3-(hydroxymethyl)phenyl]methyl]-2-(3-hydroxypropyl)-32,38-dioxospiro[26,40-dioxa-3,4-dithia-6,42-diazanonacyclo[25.10.2.27,10.121,25.01,33.09,17.013,17.018,23.031,39]dotetraconta-7,9,19,27,29,31(39),34,36-octaene-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: 22,23,24,37-Tetrahydroxy-21-(hydroxymethyl)-35-[[3-(hydroxymethyl)phenyl]methyl]-2-(3-hydroxypropyl)-32,38-dioxospiro[26,40-dioxa-3,4-dithia-6,42-diazanonacyclo[25.10.2.27,10.121,25.01,33.09,17.013,17.018,23.031,39]dotetraconta-7,9,19,27,29,31(39),34,36-octaene-15,2'-cyclopentane]-1'-carbaldehyde
• 英文别名: 22,23,24,37-tetrahydroxy-21-(hydroxymethyl)-35-[[3-(hydroxymethyl)phenyl]methyl]-2-(3-hydroxypropyl)-32,38-dioxospiro[26,40-dioxa-3,4-dithia-6,42-diazanonacyclo[25.10.2.27,10.121,25.01,33.09,17.013,17.018,23.031,39]dotetraconta-7,9,19,27,29,31(39),34,36-octaene-15,2'-cyclopentane]-1'-carbaldehyde
• 化学式: C₅₃H₆₀N₂O₁₂S₂
• 分子量: 981.2
• InChiKey: DMTVLTFBBCCEDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  69
• 可旋转键数：
  8
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  286
• 氢给体数：
  9
• 氢受体数：
  16