25-[[16-Acetyl-7-[2-(1-hydroxycyclohexyl)ethyl]-2,11-bis(hydroxymethyl)-6,17-diazatetracyclo[8.7.2.04,19.013,18]nonadeca-1(18),2,4(19)-trien-5-yl]oxy]-8,17,28-trihydroxy-16-methoxy-2,3-dithiapentacyclo[24.2.2.05,14.06,11.015,20]triaconta-5(14),6(11),7,9,12,15(20),16,18-octaen-23-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 25-[[16-Acetyl-7-[2-(1-hydroxycyclohexyl)ethyl]-2,11-bis(hydroxymethyl)-6,17-diazatetracyclo[8.7.2.04,19.013,18]nonadeca-1(18),2,4(19)-trien-5-yl]oxy]-8,17,28-trihydroxy-16-methoxy-2,3-dithiapentacyclo[24.2.2.05,14.06,11.015,20]triaconta-5(14),6(11),7,9,12,15(20),16,18-octaen-23-one
• 英文别名: 25-[[16-acetyl-7-[2-(1-hydroxycyclohexyl)ethyl]-2,11-bis(hydroxymethyl)-6,17-diazatetracyclo[8.7.2.04,19.013,18]nonadeca-1(18),2,4(19)-trien-5-yl]oxy]-8,17,28-trihydroxy-16-methoxy-2,3-dithiapentacyclo[24.2.2.05,14.06,11.015,20]triaconta-5(14),6(11),7,9,12,15(20),16,18-octaen-23-one
• 化学式: C₅₈H₇₄N₂O₁₀S₂
• 分子量: 1023.3
• InChiKey: GAEAPPQKWQCZET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  72
• 可旋转键数：
  9
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  249
• 氢给体数：
  8
• 氢受体数：
  14