[16-Hydroxy-8-[3-hydroxy-4-[3-hydroxy-5-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]-5-methoxyphenyl]-27-(3-hydroxyphenyl)-36-methyl-6-oxo-21-(3-oxobutyl)spiro[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-yne-15,1'-cyclopentane]-4-yl] acetate

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: [16-Hydroxy-8-[3-hydroxy-4-[3-hydroxy-5-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]-5-methoxyphenyl]-27-(3-hydroxyphenyl)-36-methyl-6-oxo-21-(3-oxobutyl)spiro[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-yne-15,1'-cyclopentane]-4-yl] acetate
• 英文别名: [16-hydroxy-8-[3-hydroxy-4-[3-hydroxy-5-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]-5-methoxyphenyl]-27-(3-hydroxyphenyl)-36-methyl-6-oxo-21-(3-oxobutyl)spiro[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-yne-15,1'-cyclopentane]-4-yl] acetate
• 化学式: C₈₀H₈₄N₄O₁₀
• 分子量: 1261.5
• InChiKey: KFJJBZWPJMQWAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13
• 重原子数：
  94
• 可旋转键数：
  11
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  196
• 氢给体数：
  6
• 氢受体数：
  12