23,24,39,42-Tetrahydroxy-25-(hydroxymethyl)-37-[[3-(hydroxymethyl)phenyl]methyl]-34,40-dioxospiro[26,28-dioxa-3,4-dithia-17,43-diazadecacyclo[27.10.2.15,18.123,27.01,35.07,19.09,21.012,21.015,20.033,41]tritetraconta-7,15(20),18,29,31,33(41),36,38-octaene-10,2'-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: 23,24,39,42-Tetrahydroxy-25-(hydroxymethyl)-37-[[3-(hydroxymethyl)phenyl]methyl]-34,40-dioxospiro[26,28-dioxa-3,4-dithia-17,43-diazadecacyclo[27.10.2.15,18.123,27.01,35.07,19.09,21.012,21.015,20.033,41]tritetraconta-7,15(20),18,29,31,33(41),36,38-octaene-10,2'-cyclopentane]-1'-carbaldehyde
• 英文别名: 23,24,39,42-tetrahydroxy-25-(hydroxymethyl)-37-[[3-(hydroxymethyl)phenyl]methyl]-34,40-dioxospiro[26,28-dioxa-3,4-dithia-17,43-diazadecacyclo[27.10.2.15,18.123,27.01,35.07,19.09,21.012,21.015,20.033,41]tritetraconta-7,15(20),18,29,31,33(41),36,38-octaene-10,2'-cyclopentane]-1'-carbaldehyde
• 化学式: C₅₁H₅₄N₂O₁₁S₂
• 分子量: 935.1
• InChiKey: QLRBQQUYKWTXNW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 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