28-Amino-2',8,13,22-tetrahydroxy-4,8-dimethyl-3'-(8-methylidene-2-oxa-15,16-dithiabicyclo[10.5.3]icosa-4,6,11-trien-18-yn-4-yl)spiro[24,27-diazapentacyclo[23.7.1.115,19.05,10.029,33]tetratriaconta-1(33),4,15,17,19(34),29,31-heptaene-9,1'-cyclopentane]-3,26-dione

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 28-Amino-2',8,13,22-tetrahydroxy-4,8-dimethyl-3'-(8-methylidene-2-oxa-15,16-dithiabicyclo[10.5.3]icosa-4,6,11-trien-18-yn-4-yl)spiro[24,27-diazapentacyclo[23.7.1.115,19.05,10.029,33]tetratriaconta-1(33),4,15,17,19(34),29,31-heptaene-9,1'-cyclopentane]-3,26-dione
• 英文别名: 28-amino-2',8,13,22-tetrahydroxy-4,8-dimethyl-3'-(8-methylidene-2-oxa-15,16-dithiabicyclo[10.5.3]icosa-4,6,11-trien-18-yn-4-yl)spiro[24,27-diazapentacyclo[23.7.1.115,19.05,10.029,33]tetratriaconta-1(33),4,15,17,19(34),29,31-heptaene-9,1'-cyclopentane]-3,26-dione
• 化学式: C₅₆H₇₁N₃O₇S₂
• 分子量: 962.3
• InChiKey: UPAFSYOLUKYGQO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  68
• 可旋转键数：
  1
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  225
• 氢给体数：
  7
• 氢受体数：
  11