[24-Amino-27-[(3,5-dimethylphenyl)methyl]-10,18-dihydroxy-21-(1-hydroxyethyl)-12-(hydroxymethyl)-8-oxa-4,23,25,42-tetrazaheptacyclo[19.16.4.23,34.13,7.19,13.128,32.015,39]hexatetraconta-9,11,13(45),23,28,30,32(44)-heptaen-36,40-diyn-16-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: [24-Amino-27-[(3,5-dimethylphenyl)methyl]-10,18-dihydroxy-21-(1-hydroxyethyl)-12-(hydroxymethyl)-8-oxa-4,23,25,42-tetrazaheptacyclo[19.16.4.23,34.13,7.19,13.128,32.015,39]hexatetraconta-9,11,13(45),23,28,30,32(44)-heptaen-36,40-diyn-16-yl] acetate
• 英文别名: [24-amino-27-[(3,5-dimethylphenyl)methyl]-10,18-dihydroxy-21-(1-hydroxyethyl)-12-(hydroxymethyl)-8-oxa-4,23,25,42-tetrazaheptacyclo[19.16.4.23,34.13,7.19,13.128,32.015,39]hexatetraconta-9,11,13(45),23,28,30,32(44)-heptaen-36,40-diyn-16-yl] acetate
• 化学式: C₅₅H₇₁N₅O₇
• 分子量: 914.2
• InChiKey: UHYKOCKOMGUYIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  67
• 可旋转键数：
  6
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  191
• 氢给体数：
  8
• 氢受体数：
  10