14-[(3-Cyclohexyloxy-4-hydroxyphenyl)methyl]-29-ethyl-5,11,15-trihydroxy-14-[3-hydroxy-5-[1-(methylamino)cyclopentyl]phenyl]-4-methoxy-10-(pyrrol-1-id-3-ylmethyl)-19,20-dithiapentacyclo[20.7.1.03,8.012,17.026,30]triaconta-1(29),3(8),4,6,22,24,26(30),27-octaen-13-one

• 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: 14-[(3-Cyclohexyloxy-4-hydroxyphenyl)methyl]-29-ethyl-5,11,15-trihydroxy-14-[3-hydroxy-5-[1-(methylamino)cyclopentyl]phenyl]-4-methoxy-10-(pyrrol-1-id-3-ylmethyl)-19,20-dithiapentacyclo[20.7.1.03,8.012,17.026,30]triaconta-1(29),3(8),4,6,22,24,26(30),27-octaen-13-one
• 英文别名: 14-[(3-cyclohexyloxy-4-hydroxyphenyl)methyl]-29-ethyl-5,11,15-trihydroxy-14-[3-hydroxy-5-[1-(methylamino)cyclopentyl]phenyl]-4-methoxy-10-(pyrrol-1-id-3-ylmethyl)-19,20-dithiapentacyclo[20.7.1.03,8.012,17.026,30]triaconta-1(29),3(8),4,6,22,24,26(30),27-octaen-13-one
• 化学式: C61H71N2O8S2-
• 分子量: 1024.4
• InChiKey: ZUHRHFIAGOZCSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.7
• 重原子数：
  73
• 可旋转键数：
  11
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  200
• 氢给体数：
  6
• 氢受体数：
  12