(1S,2R,3R,4S,6R,8R,9S,11R,13R,14S,16R,18R,19S,21S,22R,23R,24S,25S,40S,43S,44R,46R,48S,49R,51R,53R,54R,55R,56R,62R,63R,64R,65R,66R,67R)-2,3,22,23,53,54,55,56,62,63,64,65,66,67-tetradecahydroxy-8,13,18,44,49-pentakis(hydroxymethyl)-27,27,38,38-tetraoxo-5,7,10,12,15,17,20,41,42,45,47,50,52,61-tetradecaoxa-27lambda6,38lambda6-dithiadodecacyclo[22.17.11.331,37.26,9.211,14.216,19.243,46.248,51.121,25.128,32.04,40.034,58]heptahexaconta-28(60),29,31,33,35,37(57),58-heptaene-33,59-dicarbonitrile

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1S,2R,3R,4S,6R,8R,9S,11R,13R,14S,16R,18R,19S,21S,22R,23R,24S,25S,40S,43S,44R,46R,48S,49R,51R,53R,54R,55R,56R,62R,63R,64R,65R,66R,67R)-2,3,22,23,53,54,55,56,62,63,64,65,66,67-tetradecahydroxy-8,13,18,44,49-pentakis(hydroxymethyl)-27,27,38,38-tetraoxo-5,7,10,12,15,17,20,41,42,45,47,50,52,61-tetradecaoxa-27lambda6,38lambda6-dithiadodecacyclo[22.17.11.331,37.26,9.211,14.216,19.243,46.248,51.121,25.128,32.04,40.034,58]heptahexaconta-28(60),29,31,33,35,37(57),58-heptaene-33,59-dicarbonitrile
• 英文别名: (1S,2R,3R,4S,6R,8R,9S,11R,13R,14S,16R,18R,19S,21S,22R,23R,24S,25S,40S,43S,44R,46R,48S,49R,51R,53R,54R,55R,56R,62R,63R,64R,65R,66R,67R)-2,3,22,23,53,54,55,56,62,63,64,65,66,67-tetradecahydroxy-8,13,18,44,49-pentakis(hydroxymethyl)-27,27,38,38-tetraoxo-5,7,10,12,15,17,20,41,42,45,47,50,52,61-tetradecaoxa-27λ6,38λ6-dithiadodecacyclo[22.17.11.331,37.26,9.211,14.216,19.243,46.248,51.121,25.128,32.04,40.034,58]heptahexaconta-28(60),29,31,33,35,37(57),58-heptaene-33,59-dicarbonitrile
• 化学式: C₅₈H₇₄N₂O₃₇S₂
• 分子量: 1455.3
• InChiKey: CTUNHINWSHKBPV-PRAUPJRVSA-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：
  5
• 环数：
  28.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  646
• 氢给体数：
  19
• 氢受体数：
  39