[(4E,6Z,8S,9S,11E,13R,14S,15S,17S)-20-[[(E)-5-[[(4R,6R,8R,9Z,11E)-16-chloro-19-hydroxy-4-methyl-2,13-dioxo-7-oxa-3-azatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-17-yl]oxy]pent-3-enyl]amino]-14-hydroxy-8,15-dimethoxy-4,11,13,17-tetramethyl-3,21,23-trioxo-2-azabicyclo[17.3.1]tricosa-1(22),4,6,11,19-pentaen-9-yl] carbamate;(4R,6R,8S,9Z,11E)-16-[(1E,5E)-6-[(4R,6R,8S,9Z,11E)-17,19-dihydroxy-4-methyl-2,13-dioxo-3-oxatricyclo[13.4.0.06,8]nonadeca-1(19),9,11,15,17-pentaen-16-yl]hexa-1,5-dienyl]-17,19-dihydroxy-4-methyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(19),9,11,15,17-pentaene-2,13-dione

• 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: [(4E,6Z,8S,9S,11E,13R,14S,15S,17S)-20-[[(E)-5-[[(4R,6R,8R,9Z,11E)-16-chloro-19-hydroxy-4-methyl-2,13-dioxo-7-oxa-3-azatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-17-yl]oxy]pent-3-enyl]amino]-14-hydroxy-8,15-dimethoxy-4,11,13,17-tetramethyl-3,21,23-trioxo-2-azabicyclo[17.3.1]tricosa-1(22),4,6,11,19-pentaen-9-yl] carbamate;(4R,6R,8S,9Z,11E)-16-[(1E,5E)-6-[(4R,6R,8S,9Z,11E)-17,19-dihydroxy-4-methyl-2,13-dioxo-3-oxatricyclo[13.4.0.06,8]nonadeca-1(19),9,11,15,17-pentaen-16-yl]hexa-1,5-dienyl]-17,19-dihydroxy-4-methyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(19),9,11,15,17-pentaene-2,13-dione
• 化学式: C96H111ClN4O23
• 分子量: 1724.4
• InChiKey: UBPBARYUDGIQLP-CWFNLUDKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.27
• 重原子数：
  124
• 可旋转键数：
  16
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  422
• 氢给体数：
  10
• 氢受体数：
  24