27,28,43,46-Tetrahydroxy-29-(hydroxymethyl)-41-[[3-(hydroxymethyl)phenyl]methyl]-30,32-dioxa-3,4-dithia-6,8-diazaundecacyclo[31.10.2.127,31.01,39.05,21.07,23.010,24.013,25.016,25.017,22.037,45]hexatetraconta-7(23),10(24),17(22),18,20,33,35,37(45),40,42-decaene-38,44-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: 27,28,43,46-Tetrahydroxy-29-(hydroxymethyl)-41-[[3-(hydroxymethyl)phenyl]methyl]-30,32-dioxa-3,4-dithia-6,8-diazaundecacyclo[31.10.2.127,31.01,39.05,21.07,23.010,24.013,25.016,25.017,22.037,45]hexatetraconta-7(23),10(24),17(22),18,20,33,35,37(45),40,42-decaene-38,44-dione
• 英文别名: 27,28,43,46-tetrahydroxy-29-(hydroxymethyl)-41-[[3-(hydroxymethyl)phenyl]methyl]-30,32-dioxa-3,4-dithia-6,8-diazaundecacyclo[31.10.2.127,31.01,39.05,21.07,23.010,24.013,25.016,25.017,22.037,45]hexatetraconta-7(23),10(24),17(22),18,20,33,35,37(45),40,42-decaene-38,44-dione
• 化学式: C₄₉H₄₈N₂O₁₀S₂
• 分子量: 889.0
• InChiKey: SPBYNESJLDXDMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  63
• 可旋转键数：
  4
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  249
• 氢给体数：
  8
• 氢受体数：
  14