57-(Diaminomethyl)-13,21,49,54-tetrahydroxy-49-(hydroxymethyl)-15-oxa-39,40-dithia-29-azaundecacyclo[44.4.3.24,42.234,37.14,42.110,14.118,22.01,46.03,44.023,35.026,30]hexaconta-5,10(60),11,13,18(59),19,21,26(30),27,34,36,57-dodecaen-32-yne-7,25-dione

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 57-(Diaminomethyl)-13,21,49,54-tetrahydroxy-49-(hydroxymethyl)-15-oxa-39,40-dithia-29-azaundecacyclo[44.4.3.24,42.234,37.14,42.110,14.118,22.01,46.03,44.023,35.026,30]hexaconta-5,10(60),11,13,18(59),19,21,26(30),27,34,36,57-dodecaen-32-yne-7,25-dione
• 英文别名: 57-(diaminomethyl)-13,21,49,54-tetrahydroxy-49-(hydroxymethyl)-15-oxa-39,40-dithia-29-azaundecacyclo[44.4.3.24,42.234,37.14,42.110,14.118,22.01,46.03,44.023,35.026,30]hexaconta-5,10(60),11,13,18(59),19,21,26(30),27,34,36,57-dodecaen-32-yne-7,25-dione
• 化学式: C₅₈H₆₇N₃O₈S₂
• 分子量: 998.3
• InChiKey: WNKDLTHWOVDVNO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  71
• 可旋转键数：
  2
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  263
• 氢给体数：
  8
• 氢受体数：
  12