57-(Diaminomethyl)-3,11,25,50-tetrahydroxy-44-(hydroxymethyl)-9-oxa-47,48,53,54-tetrathia-64-azatridecacyclo[54.13.2.12,6.110,14.120,50.120,51.125,33.023,36.026,30.035,45.038,43.059,70.063,67]hexaheptaconta-2,4,6(76),10,12,14(75),18,38,40,42,56(71),57,59(70),63(67),65-pentadecaen-60-yne-17,68-dione

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 57-(Diaminomethyl)-3,11,25,50-tetrahydroxy-44-(hydroxymethyl)-9-oxa-47,48,53,54-tetrathia-64-azatridecacyclo[54.13.2.12,6.110,14.120,50.120,51.125,33.023,36.026,30.035,45.038,43.059,70.063,67]hexaheptaconta-2,4,6(76),10,12,14(75),18,38,40,42,56(71),57,59(70),63(67),65-pentadecaen-60-yne-17,68-dione
• 英文别名: 57-(diaminomethyl)-3,11,25,50-tetrahydroxy-44-(hydroxymethyl)-9-oxa-47,48,53,54-tetrathia-64-azatridecacyclo[54.13.2.12,6.110,14.120,50.120,51.125,33.023,36.026,30.035,45.038,43.059,70.063,67]hexaheptaconta-2,4,6(76),10,12,14(75),18,38,40,42,56(71),57,59(70),63(67),65-pentadecaen-60-yne-17,68-dione
• 化学式: C₇₂H₈₅N₃O₈S₄
• 分子量: 1248.7
• InChiKey: VDHKSFKDTXPNQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.1
• 重原子数：
  87
• 可旋转键数：
  2
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  314
• 氢给体数：
  8
• 氢受体数：
  14