42-Cyclohexyl-2,23,41-trihydroxy-45-(methylaminomethyl)-27-(5,13,14-trihydroxy-13-methylspiro[16-oxa-11-azatricyclo[15.2.2.16,10]docosa-6(22),7,9-trien-2-yne-4,1'-cyclohexane]-8-yl)-33,39-dioxanonacyclo[23.13.2.29,12.234,37.117,21.02,11.03,8.010,15.030,35]pentatetraconta-17,19,21(43),24,34,36,41-heptaen-28-yne-14,32,40-trione

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 42-Cyclohexyl-2,23,41-trihydroxy-45-(methylaminomethyl)-27-(5,13,14-trihydroxy-13-methylspiro[16-oxa-11-azatricyclo[15.2.2.16,10]docosa-6(22),7,9-trien-2-yne-4,1'-cyclohexane]-8-yl)-33,39-dioxanonacyclo[23.13.2.29,12.234,37.117,21.02,11.03,8.010,15.030,35]pentatetraconta-17,19,21(43),24,34,36,41-heptaen-28-yne-14,32,40-trione
• 英文别名: 42-cyclohexyl-2,23,41-trihydroxy-45-(methylaminomethyl)-27-(5,13,14-trihydroxy-13-methylspiro[16-oxa-11-azatricyclo[15.2.2.16,10]docosa-6(22),7,9-trien-2-yne-4,1'-cyclohexane]-8-yl)-33,39-dioxanonacyclo[23.13.2.29,12.234,37.117,21.02,11.03,8.010,15.030,35]pentatetraconta-17,19,21(43),24,34,36,41-heptaen-28-yne-14,32,40-trione
• 化学式: C₇₇H₉₆N₂O₁₂
• 分子量: 1241.6
• InChiKey: CITBOZZCJBLQKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.1
• 重原子数：
  91
• 可旋转键数：
  4
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  224
• 氢给体数：
  8
• 氢受体数：
  14