(3R)-3-{(2R,6S,9S,11R,12R,14aS,15S,20S,23S,25aS)-9-[(10,12-Dimethyltetradecanoyl)amino]-2,11,12,15-tetrahydroxy-6-[(1R)-1-hydroxyethyl]-23-[(1R)-1-hydroxy-2-(4-hydroxyphenyl)ethyl]-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-20-yl}-3-hydroxy-N,N,N-trimethylpropan-1-aminium

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (3R)-3-{(2R,6S,9S,11R,12R,14aS,15S,20S,23S,25aS)-9-[(10,12-Dimethyltetradecanoyl)amino]-2,11,12,15-tetrahydroxy-6-[(1R)-1-hydroxyethyl]-23-[(1R)-1-hydroxy-2-(4-hydroxyphenyl)ethyl]-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-20-yl}-3-hydroxy-N,N,N-trimethylpropan-1-aminium
• 英文别名: [(3R)-3-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S)-18-(10,12-dimethyltetradecanoylamino)-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-6-[(1R)-1-hydroxy-2-(4-hydroxyphenyl)ethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-3-yl]-3-hydroxypropyl]-trimethylazanium
• 化学式: C53H89N8O15+
• 分子量: 1078.3
• InChiKey: AHTBEWBEXWUARG-ZOMBWMLFSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  76
• 可旋转键数：
  21
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  348
• 氢给体数：
  13
• 氢受体数：
  15