26,27,28,41-Tetrahydroxy-25-(hydroxymethyl)-39-[[3-(hydroxymethyl)phenyl]methyl]-36,42-dioxospiro[30,44-dioxa-3,4-dithia-17,45-diazaundecacyclo[29.10.2.15,18.125,29.01,37.07,19.09,21.012,21.015,20.022,27.035,43]pentatetraconta-7,15(20),18,23,31,33,35(43),38,40-nonaene-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]-36,42-dioxospiro[30,44-dioxa-3,4-dithia-17,45-diazaundecacyclo[29.10.2.15,18.125,29.01,37.07,19.09,21.012,21.015,20.022,27.035,43]pentatetraconta-7,15(20),18,23,31,33,35(43),38,40-nonaene-10,2'-cyclopentane]-1'-carbaldehyde
• 英文别名: 26,27,28,41-tetrahydroxy-25-(hydroxymethyl)-39-[[3-(hydroxymethyl)phenyl]methyl]-36,42-dioxospiro[30,44-dioxa-3,4-dithia-17,45-diazaundecacyclo[29.10.2.15,18.125,29.01,37.07,19.09,21.012,21.015,20.022,27.035,43]pentatetraconta-7,15(20),18,23,31,33,35(43),38,40-nonaene-10,2'-cyclopentane]-1'-carbaldehyde
• 化学式: C₅₃H₅₄N₂O₁₁S₂
• 分子量: 959.1
• InChiKey: IPRRIIKMYQHYEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  68
• 可旋转键数：
  5
• 环数：
  15.0
• 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