25,26,41,44-Tetrahydroxy-27-(hydroxymethyl)-39-[[3-(hydroxymethyl)phenyl]methyl]-2-(3-hydroxypropyl)-28,30-dioxa-3,4-dithia-6,8-diazadecacyclo[29.10.2.125,29.01,37.05,14.07,12.011,23.013,18.019,23.035,43]tetratetraconta-7(12),10,13(18),14,16,31,33,35(43),38,40-decaene-36,42-dione

• 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: 25,26,41,44-Tetrahydroxy-27-(hydroxymethyl)-39-[[3-(hydroxymethyl)phenyl]methyl]-2-(3-hydroxypropyl)-28,30-dioxa-3,4-dithia-6,8-diazadecacyclo[29.10.2.125,29.01,37.05,14.07,12.011,23.013,18.019,23.035,43]tetratetraconta-7(12),10,13(18),14,16,31,33,35(43),38,40-decaene-36,42-dione
• 英文别名: 25,26,41,44-tetrahydroxy-27-(hydroxymethyl)-39-[[3-(hydroxymethyl)phenyl]methyl]-2-(3-hydroxypropyl)-28,30-dioxa-3,4-dithia-6,8-diazadecacyclo[29.10.2.125,29.01,37.05,14.07,12.011,23.013,18.019,23.035,43]tetratetraconta-7(12),10,13(18),14,16,31,33,35(43),38,40-decaene-36,42-dione
• 化学式: C₅₀H₅₂N₂O₁₁S₂
• 分子量: 921.1
• InChiKey: CUKNVLNBOHVUNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  65
• 可旋转键数：
  7
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  269
• 氢给体数：
  9
• 氢受体数：
  15