63-(Diaminomethyl)-3,11,25,26,56-pentahydroxy-50-(hydroxymethyl)-9-oxa-53,54,59,60-tetrathia-70-azapentadecacyclo[60.13.2.227,38.233,46.12,6.110,14.120,56.120,57.125,39.023,42.030,35.041,51.044,49.065,76.069,73]hexaoctaconta-2,4,6(86),10,12,14(85),18,30(35),31,33,36,44(49),45,47,62(77),63,65(76),69(73),71-nonadecaen-66-yne-17,74-dione

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 63-(Diaminomethyl)-3,11,25,26,56-pentahydroxy-50-(hydroxymethyl)-9-oxa-53,54,59,60-tetrathia-70-azapentadecacyclo[60.13.2.227,38.233,46.12,6.110,14.120,56.120,57.125,39.023,42.030,35.041,51.044,49.065,76.069,73]hexaoctaconta-2,4,6(86),10,12,14(85),18,30(35),31,33,36,44(49),45,47,62(77),63,65(76),69(73),71-nonadecaen-66-yne-17,74-dione
• 英文别名: 63-(diaminomethyl)-3,11,25,26,56-pentahydroxy-50-(hydroxymethyl)-9-oxa-53,54,59,60-tetrathia-70-azapentadecacyclo[60.13.2.227,38.233,46.12,6.110,14.120,56.120,57.125,39.023,42.030,35.041,51.044,49.065,76.069,73]hexaoctaconta-2,4,6(86),10,12,14(85),18,30(35),31,33,36,44(49),45,47,62(77),63,65(76),69(73),71-nonadecaen-66-yne-17,74-dione
• 化学式: C₈₂H₉₃N₃O₉S₄
• 分子量: 1392.9
• InChiKey: STFPNJRKUKJJDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12
• 重原子数：
  98
• 可旋转键数：
  2
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  334
• 氢给体数：
  9
• 氢受体数：
  15