31-[2-[4-Hydroxy-3-[(3-hydroxyphenyl)methyl]phenyl]ethyl]-15,39-bis(hydroxymethyl)-7-(10-oxahexacyclo[17.3.1.04,9.09,22.012,21.015,20]tricosa-15(20),16,18-trien-21-yl)-26-(propylaminomethyl)-11,24,41-trioxa-2,43,45-triazadecacyclo[23.20.1.12,5.116,20.04,9.012,17.023,28.034,46.035,44.037,42]octatetraconta-1(46),3,5(48),6,8,12,14,16,18,26,34-undecaen-32-yne-13,21-diol

• 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: 31-[2-[4-Hydroxy-3-[(3-hydroxyphenyl)methyl]phenyl]ethyl]-15,39-bis(hydroxymethyl)-7-(10-oxahexacyclo[17.3.1.04,9.09,22.012,21.015,20]tricosa-15(20),16,18-trien-21-yl)-26-(propylaminomethyl)-11,24,41-trioxa-2,43,45-triazadecacyclo[23.20.1.12,5.116,20.04,9.012,17.023,28.034,46.035,44.037,42]octatetraconta-1(46),3,5(48),6,8,12,14,16,18,26,34-undecaen-32-yne-13,21-diol
• 英文别名: 31-[2-[4-hydroxy-3-[(3-hydroxyphenyl)methyl]phenyl]ethyl]-15,39-bis(hydroxymethyl)-7-(10-oxahexacyclo[17.3.1.04,9.09,22.012,21.015,20]tricosa-15(20),16,18-trien-21-yl)-26-(propylaminomethyl)-11,24,41-trioxa-2,43,45-triazadecacyclo[23.20.1.12,5.116,20.04,9.012,17.023,28.034,46.035,44.037,42]octatetraconta-1(46),3,5(48),6,8,12,14,16,18,26,34-undecaen-32-yne-13,21-diol
• 化学式: C₈₅H₉₆N₄O₁₀
• 分子量: 1333.7
• InChiKey: PSOKHPWNPWEDJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.8
• 重原子数：
  99
• 可旋转键数：
  12
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  199
• 氢给体数：
  9
• 氢受体数：
  13