2-[11-Amino-4,5,6,8,28-pentahydroxy-17,24-bis(hydroxymethyl)-14-[[2-(hydroxymethyl)phenyl]methyl]-25-methoxy-21-methyl-19-oxo-2,29-dioxa-15,16-dithiapentacyclo[18.6.2.13,7.08,13.023,27]nonacosa-1(26),9,20(28),21,23(27),24-hexaen-12-yl]acetaldehyde

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-[11-Amino-4,5,6,8,28-pentahydroxy-17,24-bis(hydroxymethyl)-14-[[2-(hydroxymethyl)phenyl]methyl]-25-methoxy-21-methyl-19-oxo-2,29-dioxa-15,16-dithiapentacyclo[18.6.2.13,7.08,13.023,27]nonacosa-1(26),9,20(28),21,23(27),24-hexaen-12-yl]acetaldehyde
• 英文别名: 2-[11-amino-4,5,6,8,28-pentahydroxy-17,24-bis(hydroxymethyl)-14-[[2-(hydroxymethyl)phenyl]methyl]-25-methoxy-21-methyl-19-oxo-2,29-dioxa-15,16-dithiapentacyclo[18.6.2.13,7.08,13.023,27]nonacosa-1(26),9,20(28),21,23(27),24-hexaen-12-yl]acetaldehyde
• 化学式: C₃₉H₄₇NO₁₃S₂
• 分子量: 801.9
• InChiKey: UTBDLWLOCKKEKZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  55
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  300
• 氢给体数：
  9
• 氢受体数：
  16