14-Amino-5,40,48-trihydroxy-39-(hydroxymethoxy)-22-(2-hydroxy-1-methoxyethyl)-3'-[[4-hydroxy-2-(methylaminomethyl)phenyl]methyl]-12-propan-2-ylspiro[4,32-dioxa-9,10-dithia-13,15,30-triazaoctacyclo[32.16.1.12,6.03,33.07,16.019,29.024,29.038,43]dopentaconta-1(51),2,13,33,38(43),39,41-heptaen-17,36-diyne-27,1'-cyclopentane]-46-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-5,40,48-trihydroxy-39-(hydroxymethoxy)-22-(2-hydroxy-1-methoxyethyl)-3'-[[4-hydroxy-2-(methylaminomethyl)phenyl]methyl]-12-propan-2-ylspiro[4,32-dioxa-9,10-dithia-13,15,30-triazaoctacyclo[32.16.1.12,6.03,33.07,16.019,29.024,29.038,43]dopentaconta-1(51),2,13,33,38(43),39,41-heptaen-17,36-diyne-27,1'-cyclopentane]-46-one
• 英文别名: 14-amino-5,40,48-trihydroxy-39-(hydroxymethoxy)-22-(2-hydroxy-1-methoxyethyl)-3'-[[4-hydroxy-2-(methylaminomethyl)phenyl]methyl]-12-propan-2-ylspiro[4,32-dioxa-9,10-dithia-13,15,30-triazaoctacyclo[32.16.1.12,6.03,33.07,16.019,29.024,29.038,43]dopentaconta-1(51),2,13,33,38(43),39,41-heptaen-17,36-diyne-27,1'-cyclopentane]-46-one
• 化学式: C₆₅H₈₇N₅O₁₁S₂
• 分子量: 1178.5
• InChiKey: IQWOTTSFTXHEST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  83
• 可旋转键数：
  10
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  300
• 氢给体数：
  10
• 氢受体数：
  16