29,30,31,44-Tetrahydroxy-28-(hydroxymethyl)-42-[[3-(hydroxymethyl)phenyl]methyl]-33,47-dioxa-3,4-dithia-6,8-diazatridecacyclo[32.10.2.111,26.128,32.01,40.05,20.07,22.010,23.013,24.016,24.017,21.025,30.038,46]octatetraconta-7(22),10(23),17,20,34,36,38(46),41,43-nonaene-39,45-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: 29,30,31,44-Tetrahydroxy-28-(hydroxymethyl)-42-[[3-(hydroxymethyl)phenyl]methyl]-33,47-dioxa-3,4-dithia-6,8-diazatridecacyclo[32.10.2.111,26.128,32.01,40.05,20.07,22.010,23.013,24.016,24.017,21.025,30.038,46]octatetraconta-7(22),10(23),17,20,34,36,38(46),41,43-nonaene-39,45-dione
• 英文别名: 29,30,31,44-tetrahydroxy-28-(hydroxymethyl)-42-[[3-(hydroxymethyl)phenyl]methyl]-33,47-dioxa-3,4-dithia-6,8-diazatridecacyclo[32.10.2.111,26.128,32.01,40.05,20.07,22.010,23.013,24.016,24.017,21.025,30.038,46]octatetraconta-7(22),10(23),17,20,34,36,38(46),41,43-nonaene-39,45-dione
• 化学式: C₅₁H₅₀N₂O₁₀S₂
• 分子量: 915.1
• InChiKey: IOUSQUWRVMMZSG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  65
• 可旋转键数：
  4
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  249
• 氢给体数：
  8
• 氢受体数：
  14