[43-Amino-9,35-dihydroxy-5,38-bis(hydroxymethyl)-13,21-dimethyl-7-oxo-4,12-dioxa-18,20,42-triazadecacyclo[27.9.6.210,13.02,11.03,8.014,28.016,25.019,24.032,37.039,44]hexatetraconta-2(11),3(8),5,9,16,18,24,32(37),33,35,39(44),40,42-tridecaen-45-yl] 2-cyclopentylbut-2-enoate

• 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: [43-Amino-9,35-dihydroxy-5,38-bis(hydroxymethyl)-13,21-dimethyl-7-oxo-4,12-dioxa-18,20,42-triazadecacyclo[27.9.6.210,13.02,11.03,8.014,28.016,25.019,24.032,37.039,44]hexatetraconta-2(11),3(8),5,9,16,18,24,32(37),33,35,39(44),40,42-tridecaen-45-yl] 2-cyclopentylbut-2-enoate
• 英文别名: [43-amino-9,35-dihydroxy-5,38-bis(hydroxymethyl)-13,21-dimethyl-7-oxo-4,12-dioxa-18,20,42-triazadecacyclo[27.9.6.210,13.02,11.03,8.014,28.016,25.019,24.032,37.039,44]hexatetraconta-2(11),3(8),5,9,16,18,24,32(37),33,35,39(44),40,42-tridecaen-45-yl] 2-cyclopentylbut-2-enoate
• 化学式: C₅₄H₆₀N₄O₉
• 分子量: 909.1
• InChiKey: ZZISJDKOTUTUSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  67
• 可旋转键数：
  6
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  207
• 氢给体数：
  6
• 氢受体数：
  13