[22-Amino-10-(dihydroxymethyl)-25-[(3,5-dimethylphenyl)methyl]-8,16-dihydroxy-19-(1-hydroxyethyl)spiro[6-oxa-2,21,23,33-tetrazahexacyclo[17.15.6.11,5.17,11.126,30.013,38]tritetraconta-7,9,11(42),21,26,28,30(41)-heptaen-39-yne-24,1'-cyclohexane]-14-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: [22-Amino-10-(dihydroxymethyl)-25-[(3,5-dimethylphenyl)methyl]-8,16-dihydroxy-19-(1-hydroxyethyl)spiro[6-oxa-2,21,23,33-tetrazahexacyclo[17.15.6.11,5.17,11.126,30.013,38]tritetraconta-7,9,11(42),21,26,28,30(41)-heptaen-39-yne-24,1'-cyclohexane]-14-yl] acetate
• 英文别名: [22-amino-10-(dihydroxymethyl)-25-[(3,5-dimethylphenyl)methyl]-8,16-dihydroxy-19-(1-hydroxyethyl)spiro[6-oxa-2,21,23,33-tetrazahexacyclo[17.15.6.11,5.17,11.126,30.013,38]tritetraconta-7,9,11(42),21,26,28,30(41)-heptaen-39-yne-24,1'-cyclohexane]-14-yl] acetate
• 化学式: C₅₇H₇₉N₅O₈
• 分子量: 962.3
• InChiKey: GJVNWWSIIFOZJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  70
• 可旋转键数：
  6
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  211
• 氢给体数：
  9
• 氢受体数：
  11