24,25,26,39-Tetrahydroxy-23-(hydroxymethyl)-37-[[3-(hydroxymethyl)phenyl]methyl]-34,40-dioxospiro[28,42-dioxa-3,4-dithia-6,8-diazadecacyclo[27.10.2.15,13.123,27.01,35.07,12.011,19.015,19.020,25.033,41]tritetraconta-7(12),10,13,29,31,33(41),36,38-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: 24,25,26,39-Tetrahydroxy-23-(hydroxymethyl)-37-[[3-(hydroxymethyl)phenyl]methyl]-34,40-dioxospiro[28,42-dioxa-3,4-dithia-6,8-diazadecacyclo[27.10.2.15,13.123,27.01,35.07,12.011,19.015,19.020,25.033,41]tritetraconta-7(12),10,13,29,31,33(41),36,38-octaene-16,2'-cyclopentane]-1'-carbaldehyde
• 英文别名: 24,25,26,39-tetrahydroxy-23-(hydroxymethyl)-37-[[3-(hydroxymethyl)phenyl]methyl]-34,40-dioxospiro[28,42-dioxa-3,4-dithia-6,8-diazadecacyclo[27.10.2.15,13.123,27.01,35.07,12.011,19.015,19.020,25.033,41]tritetraconta-7(12),10,13,29,31,33(41),36,38-octaene-16,2'-cyclopentane]-1'-carbaldehyde
• 化学式: C₅₁H₅₄N₂O₁₁S₂
• 分子量: 935.1
• InChiKey: NVDYLXWZZWWRGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  66
• 可旋转键数：
  5
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  266
• 氢给体数：
  8
• 氢受体数：
  15