58-(Diaminomethyl)-3,11,40,41,51-pentahydroxy-75-(hydroxymethyl)-9-oxa-48,49,54,55-tetrathia-65-azatridecacyclo[55.13.2.233,36.12,6.110,14.120,51.120,52.123,41.126,30.127,46.024,45.060,71.064,68]henoctaconta-2,4,6(81),10,12,14(80),18,26,28,30(79),33,35,57(72),58,60(71),64(68),66,77-octadecaen-61-yne-17,69-dione

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 58-(Diaminomethyl)-3,11,40,41,51-pentahydroxy-75-(hydroxymethyl)-9-oxa-48,49,54,55-tetrathia-65-azatridecacyclo[55.13.2.233,36.12,6.110,14.120,51.120,52.123,41.126,30.127,46.024,45.060,71.064,68]henoctaconta-2,4,6(81),10,12,14(80),18,26,28,30(79),33,35,57(72),58,60(71),64(68),66,77-octadecaen-61-yne-17,69-dione
• 英文别名: 58-(diaminomethyl)-3,11,40,41,51-pentahydroxy-75-(hydroxymethyl)-9-oxa-48,49,54,55-tetrathia-65-azatridecacyclo[55.13.2.233,36.12,6.110,14.120,51.120,52.123,41.126,30.127,46.024,45.060,71.064,68]henoctaconta-2,4,6(81),10,12,14(80),18,26,28,30(79),33,35,57(72),58,60(71),64(68),66,77-octadecaen-61-yne-17,69-dione
• 化学式: C₇₇H₈₉N₃O₉S₄
• 分子量: 1328.8
• InChiKey: XMJSSGNTMWQQEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.9
• 重原子数：
  93
• 可旋转键数：
  2
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  334
• 氢给体数：
  9
• 氢受体数：
  15