14-Amino-2',5,51,59-tetrahydroxy-50-(hydroxymethoxy)-23-(2-hydroxy-1-methoxyethyl)-9'-(2-hydroxypropylamino)-12-propan-2-ylspiro[4,43-dioxa-9,10-dithia-13,15,41-triazadodecacyclo[43.16.1.12,6.119,22.03,44.07,16.019,40.025,40.027,38.030,34.034,38.049,54]tetrahexaconta-1(62),2,13,20,44,49(54),50,52-octaen-17,47-diyne-36,6'-5,7,8,9-tetrahydrobenzo[7]annulene]-57-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 14-Amino-2',5,51,59-tetrahydroxy-50-(hydroxymethoxy)-23-(2-hydroxy-1-methoxyethyl)-9'-(2-hydroxypropylamino)-12-propan-2-ylspiro[4,43-dioxa-9,10-dithia-13,15,41-triazadodecacyclo[43.16.1.12,6.119,22.03,44.07,16.019,40.025,40.027,38.030,34.034,38.049,54]tetrahexaconta-1(62),2,13,20,44,49(54),50,52-octaen-17,47-diyne-36,6'-5,7,8,9-tetrahydrobenzo[7]annulene]-57-one
• 英文别名: 14-amino-2',5,51,59-tetrahydroxy-50-(hydroxymethoxy)-23-(2-hydroxy-1-methoxyethyl)-9'-(2-hydroxypropylamino)-12-propan-2-ylspiro[4,43-dioxa-9,10-dithia-13,15,41-triazadodecacyclo[43.16.1.12,6.119,22.03,44.07,16.019,40.025,40.027,38.030,34.034,38.049,54]tetrahexaconta-1(62),2,13,20,44,49(54),50,52-octaen-17,47-diyne-36,6'-5,7,8,9-tetrahydrobenzo[7]annulene]-57-one
• 化学式: C₇₇H₁₀₁N₅O₁₂S₂
• 分子量: 1352.8
• InChiKey: QEGZMLRQAVOMPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.7
• 重原子数：
  96
• 可旋转键数：
  9
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  321
• 氢给体数：
  11
• 氢受体数：
  17