2-[12-Amino-16-[2-[5-[2-[4-hydroxy-3-[2-hydroxy-2-[2-[(2-hydroxypropylamino)methyl]spiro[6-azatetracyclo[6.5.2.01,10.03,7]pentadeca-3(7),4,14-triene-9,1'-cyclopentane]-5-yl]ethoxy]phenyl]ethyl]-3-(hydroxymethyl)furan-2-yl]ethyl]-5-methyl-8,9-dithiatricyclo[9.7.0.02,14]octadecan-6-yl]-1-[3-(3-hydroxyphenyl)cyclohexyl]guanidine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[12-Amino-16-[2-[5-[2-[4-hydroxy-3-[2-hydroxy-2-[2-[(2-hydroxypropylamino)methyl]spiro[6-azatetracyclo[6.5.2.01,10.03,7]pentadeca-3(7),4,14-triene-9,1'-cyclopentane]-5-yl]ethoxy]phenyl]ethyl]-3-(hydroxymethyl)furan-2-yl]ethyl]-5-methyl-8,9-dithiatricyclo[9.7.0.02,14]octadecan-6-yl]-1-[3-(3-hydroxyphenyl)cyclohexyl]guanidine
• 英文别名: 2-[12-amino-16-[2-[5-[2-[4-hydroxy-3-[2-hydroxy-2-[2-[(2-hydroxypropylamino)methyl]spiro[6-azatetracyclo[6.5.2.01,10.03,7]pentadeca-3(7),4,14-triene-9,1'-cyclopentane]-5-yl]ethoxy]phenyl]ethyl]-3-(hydroxymethyl)furan-2-yl]ethyl]-5-methyl-8,9-dithiatricyclo[9.7.0.02,14]octadecan-6-yl]-1-[3-(3-hydroxyphenyl)cyclohexyl]guanidine
• 化学式: C₆₉H₉₈N₆O₇S₂
• 分子量: 1187.7
• InChiKey: ROXZMJJGKIEXCZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.7
• 重原子数：
  84
• 可旋转键数：
  19
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  278
• 氢给体数：
  10
• 氢受体数：
  12