[8-(3,4-Dihydroxy-5-methoxyphenyl)-16-hydroxy-27-(3-hydroxyphenyl)-36-methyl-6-oxo-21-(3-oxobutyl)-9,21,23,40-tetrazaoctacyclo[26.8.6.122,26.01,32.09,13.011,20.012,17.038,42]tritetraconta-10,12,17,19,22(43),25,32,34,38,41-decaen-29-yn-4-yl] acetate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: [8-(3,4-Dihydroxy-5-methoxyphenyl)-16-hydroxy-27-(3-hydroxyphenyl)-36-methyl-6-oxo-21-(3-oxobutyl)-9,21,23,40-tetrazaoctacyclo[26.8.6.122,26.01,32.09,13.011,20.012,17.038,42]tritetraconta-10,12,17,19,22(43),25,32,34,38,41-decaen-29-yn-4-yl] acetate
• 英文别名: [8-(3,4-dihydroxy-5-methoxyphenyl)-16-hydroxy-27-(3-hydroxyphenyl)-36-methyl-6-oxo-21-(3-oxobutyl)-9,21,23,40-tetrazaoctacyclo[26.8.6.122,26.01,32.09,13.011,20.012,17.038,42]tritetraconta-10,12,17,19,22(43),25,32,34,38,41-decaen-29-yn-4-yl] acetate
• 化学式: C₅₉H₆₂N₄O₉
• 分子量: 971.1
• InChiKey: MSADKOCXTYHUDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  72
• 可旋转键数：
  8
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  187
• 氢给体数：
  6
• 氢受体数：
  11