(1R,3S,7S,8R,10S,12S,15Z,18R)-7-hydroxy-12-[(E,1S)-1-hydroxy-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]prop-2-enyl]-3-methyl-5-methylidene-22-oxa-13-azatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one;(1R,3S,7S,8R,10S,12S,15Z,18R)-7-hydroxy-3-methyl-12-[(E,2S)-4-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]but-3-en-2-yl]-5-methylidene-22-oxa-13-azatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one;(1R,3S,7S,8R,10S,12R,15Z,18R)-7-hydroxy-3-methyl-12-[(E)-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]prop-2-enyl]-5-methylidene-22-oxa-13-azatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: (1R,3S,7S,8R,10S,12S,15Z,18R)-7-hydroxy-12-[(E,1S)-1-hydroxy-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]prop-2-enyl]-3-methyl-5-methylidene-22-oxa-13-azatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one;(1R,3S,7S,8R,10S,12S,15Z,18R)-7-hydroxy-3-methyl-12-[(E,2S)-4-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]but-3-en-2-yl]-5-methylidene-22-oxa-13-azatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one;(1R,3S,7S,8R,10S,12R,15Z,18R)-7-hydroxy-3-methyl-12-[(E)-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]prop-2-enyl]-5-methylidene-22-oxa-13-azatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one
• 化学式: C94H137N3O13
• 分子量: 1517.1
• InChiKey: PKKJNCODNNJHLR-CDIHQLSVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.94
• 重原子数：
  110
• 可旋转键数：
  9
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  224
• 氢给体数：
  7
• 氢受体数：
  13