14-Amino-5,41,49-trihydroxy-40-(hydroxymethoxy)-23-(2-hydroxy-1-methoxyethyl)-3'-[(4-hydroxyphenyl)methyl]-12-propan-2-ylspiro[4,33-dioxa-9,10-dithia-13,15,31-triazanonacyclo[33.16.1.12,6.119,22.03,34.07,16.019,30.025,30.039,44]tetrapentaconta-1(52),2,13,20,34,39(44),40,42-octaen-17,37-diyne-28,1'-cyclopentane]-47-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-5,41,49-trihydroxy-40-(hydroxymethoxy)-23-(2-hydroxy-1-methoxyethyl)-3'-[(4-hydroxyphenyl)methyl]-12-propan-2-ylspiro[4,33-dioxa-9,10-dithia-13,15,31-triazanonacyclo[33.16.1.12,6.119,22.03,34.07,16.019,30.025,30.039,44]tetrapentaconta-1(52),2,13,20,34,39(44),40,42-octaen-17,37-diyne-28,1'-cyclopentane]-47-one
• 英文别名: 14-amino-5,41,49-trihydroxy-40-(hydroxymethoxy)-23-(2-hydroxy-1-methoxyethyl)-3'-[(4-hydroxyphenyl)methyl]-12-propan-2-ylspiro[4,33-dioxa-9,10-dithia-13,15,31-triazanonacyclo[33.16.1.12,6.119,22.03,34.07,16.019,30.025,30.039,44]tetrapentaconta-1(52),2,13,20,34,39(44),40,42-octaen-17,37-diyne-28,1'-cyclopentane]-47-one
• 化学式: C₆₅H₈₂N₄O₁₁S₂
• 分子量: 1159.5
• InChiKey: INMUNPIUOZIEFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  82
• 可旋转键数：
  8
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  288
• 氢给体数：
  9
• 氢受体数：
  15