[14-Amino-30-(dihydroxymethyl)-11-[(3,5-dimethylphenyl)methyl]-20,24,32-trihydroxyspiro[34-oxa-3,13,15,38-tetrazaheptacyclo[19.17.6.11,35.16,10.129,33.016,21.027,42]heptatetraconta-6(47),7,9,14,17,29(46),30,32-octaen-43-yne-12,1'-cyclopentane]-26-yl] acetate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [14-Amino-30-(dihydroxymethyl)-11-[(3,5-dimethylphenyl)methyl]-20,24,32-trihydroxyspiro[34-oxa-3,13,15,38-tetrazaheptacyclo[19.17.6.11,35.16,10.129,33.016,21.027,42]heptatetraconta-6(47),7,9,14,17,29(46),30,32-octaen-43-yne-12,1'-cyclopentane]-26-yl] acetate
• 英文别名: [14-amino-30-(dihydroxymethyl)-11-[(3,5-dimethylphenyl)methyl]-20,24,32-trihydroxyspiro[34-oxa-3,13,15,38-tetrazaheptacyclo[19.17.6.11,35.16,10.129,33.016,21.027,42]heptatetraconta-6(47),7,9,14,17,29(46),30,32-octaen-43-yne-12,1'-cyclopentane]-26-yl] acetate
• 化学式: C₅₈H₇₇N₅O₈
• 分子量: 972.3
• InChiKey: XBRSIZROKLVATJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  71
• 可旋转键数：
  5
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  211
• 氢给体数：
  9
• 氢受体数：
  11