(52-Amino-14,30-dihydroxy-34-oxo-37-phenylspiro[28-oxa-2,3-dithia-33,51,53-triazatridecacyclo[38.10.4.213,16.221,27.119,31.133,36.144,47.01,47.04,9.07,12.020,29.023,27.036,40]henhexaconta-5,19(57),20(29),30,52-pentaen-41-yne-8,1'-cyclopentane]-16-yl) acetate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (52-Amino-14,30-dihydroxy-34-oxo-37-phenylspiro[28-oxa-2,3-dithia-33,51,53-triazatridecacyclo[38.10.4.213,16.221,27.119,31.133,36.144,47.01,47.04,9.07,12.020,29.023,27.036,40]henhexaconta-5,19(57),20(29),30,52-pentaen-41-yne-8,1'-cyclopentane]-16-yl) acetate
• 英文别名: (52-amino-14,30-dihydroxy-34-oxo-37-phenylspiro[28-oxa-2,3-dithia-33,51,53-triazatridecacyclo[38.10.4.213,16.221,27.119,31.133,36.144,47.01,47.04,9.07,12.020,29.023,27.036,40]henhexaconta-5,19(57),20(29),30,52-pentaen-41-yne-8,1'-cyclopentane]-16-yl) acetate
• 化学式: C₆₇H₈₆N₄O₆S₂
• 分子量: 1107.6
• InChiKey: CSOUECWSCNDPIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.3
• 重原子数：
  79
• 可旋转键数：
  3
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  197
• 氢给体数：
  4
• 氢受体数：
  9