26,27,28,41-Tetrahydroxy-25-(hydroxymethyl)-39-[[3-(hydroxymethyl)phenyl]methyl]-2-(3-hydroxypropyl)-36,42-dioxospiro[30,44-dioxa-3,4-dithia-17,46-diazadodecacyclo[29.10.2.15,18.114,23.125,29.01,37.07,19.09,21.012,21.015,20.022,27.035,43]hexatetraconta-7,15(20),18,31,33,35(43),38,40-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: 26,27,28,41-Tetrahydroxy-25-(hydroxymethyl)-39-[[3-(hydroxymethyl)phenyl]methyl]-2-(3-hydroxypropyl)-36,42-dioxospiro[30,44-dioxa-3,4-dithia-17,46-diazadodecacyclo[29.10.2.15,18.114,23.125,29.01,37.07,19.09,21.012,21.015,20.022,27.035,43]hexatetraconta-7,15(20),18,31,33,35(43),38,40-octaene-10,2'-cyclopentane]-1'-carbaldehyde
• 英文别名: 26,27,28,41-tetrahydroxy-25-(hydroxymethyl)-39-[[3-(hydroxymethyl)phenyl]methyl]-2-(3-hydroxypropyl)-36,42-dioxospiro[30,44-dioxa-3,4-dithia-17,46-diazadodecacyclo[29.10.2.15,18.114,23.125,29.01,37.07,19.09,21.012,21.015,20.022,27.035,43]hexatetraconta-7,15(20),18,31,33,35(43),38,40-octaene-10,2'-cyclopentane]-1'-carbaldehyde
• 化学式: C₅₇H₆₂N₂O₁₂S₂
• 分子量: 1031.2
• InChiKey: HURIWOBWRHEQEX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  73
• 可旋转键数：
  8
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  286
• 氢给体数：
  9
• 氢受体数：
  16