19,20,35,38-Tetrahydroxy-21-(hydroxymethyl)-33-[[3-(hydroxymethyl)phenyl]methyl]-2-(3-hydroxypropyl)-22,24-dioxa-3,4-dithia-6,40-diazaoctacyclo[23.10.2.27,10.119,23.01,31.09,17.013,17.029,37]tetraconta-7(40),8,10(39),25,27,29(37),32,34-octaene-30,36-dione

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 19,20,35,38-Tetrahydroxy-21-(hydroxymethyl)-33-[[3-(hydroxymethyl)phenyl]methyl]-2-(3-hydroxypropyl)-22,24-dioxa-3,4-dithia-6,40-diazaoctacyclo[23.10.2.27,10.119,23.01,31.09,17.013,17.029,37]tetraconta-7(40),8,10(39),25,27,29(37),32,34-octaene-30,36-dione
• 英文别名: 19,20,35,38-tetrahydroxy-21-(hydroxymethyl)-33-[[3-(hydroxymethyl)phenyl]methyl]-2-(3-hydroxypropyl)-22,24-dioxa-3,4-dithia-6,40-diazaoctacyclo[23.10.2.27,10.119,23.01,31.09,17.013,17.029,37]tetraconta-7(40),8,10(39),25,27,29(37),32,34-octaene-30,36-dione
• 化学式: C₄₆H₅₂N₂O₁₁S₂
• 分子量: 873.0
• InChiKey: NEMXVFFVSROUNB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  61
• 可旋转键数：
  7
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  270
• 氢给体数：
  8
• 氢受体数：
  15