1-[1-[2-[1-[5-[13-(Ethylaminomethoxy)-3,11-dihydroxy-15-methoxy-6-oxa-10-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),8,12,14,16(20)-hexaen-4-yl]-2-hydroxy-3-methoxyphenoxy]-3-hydroxypropan-2-yl]-16-(2-hydroxyethyl)-12-hexacyclo[11.7.1.02,11.03,8.04,19.017,21]henicosa-3(8),4,6,9-tetraenyl]cyclohexyl]pyrrole-2,5-dione

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 1-[1-[2-[1-[5-[13-(Ethylaminomethoxy)-3,11-dihydroxy-15-methoxy-6-oxa-10-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),8,12,14,16(20)-hexaen-4-yl]-2-hydroxy-3-methoxyphenoxy]-3-hydroxypropan-2-yl]-16-(2-hydroxyethyl)-12-hexacyclo[11.7.1.02,11.03,8.04,19.017,21]henicosa-3(8),4,6,9-tetraenyl]cyclohexyl]pyrrole-2,5-dione
• 英文别名: 1-[1-[2-[1-[5-[13-(ethylaminomethoxy)-3,11-dihydroxy-15-methoxy-6-oxa-10-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),8,12,14,16(20)-hexaen-4-yl]-2-hydroxy-3-methoxyphenoxy]-3-hydroxypropan-2-yl]-16-(2-hydroxyethyl)-12-hexacyclo[11.7.1.02,11.03,8.04,19.017,21]henicosa-3(8),4,6,9-tetraenyl]cyclohexyl]pyrrole-2,5-dione
• 化学式: C₆₅H₇₅N₃O₁₂
• 分子量: 1090.3
• InChiKey: IXLLQGWIEMNSMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  80
• 可旋转键数：
  16
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  209
• 氢给体数：
  7
• 氢受体数：
  14