42-Cyclohexyl-27-[12,13-dihydroxy-5-(hydroxymethyl)-12-methyl-15-oxa-10-azatetracyclo[12.7.1.04,9.016,21]docosa-4,6,8-trien-7-yl]-2,23,41-trihydroxy-33,39-dioxaoctacyclo[23.13.2.234,37.117,21.02,11.03,8.010,15.030,35]tritetraconta-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-27-[12,13-dihydroxy-5-(hydroxymethyl)-12-methyl-15-oxa-10-azatetracyclo[12.7.1.04,9.016,21]docosa-4,6,8-trien-7-yl]-2,23,41-trihydroxy-33,39-dioxaoctacyclo[23.13.2.234,37.117,21.02,11.03,8.010,15.030,35]tritetraconta-17,19,21(43),24,34,36,41-heptaen-28-yne-14,32,40-trione
• 英文别名: 42-cyclohexyl-27-[12,13-dihydroxy-5-(hydroxymethyl)-12-methyl-15-oxa-10-azatetracyclo[12.7.1.04,9.016,21]docosa-4,6,8-trien-7-yl]-2,23,41-trihydroxy-33,39-dioxaoctacyclo[23.13.2.234,37.117,21.02,11.03,8.010,15.030,35]tritetraconta-17,19,21(43),24,34,36,41-heptaen-28-yne-14,32,40-trione
• 化学式: C₆₉H₈₅NO₁₂
• 分子量: 1120.4
• InChiKey: VDCZJTSVZARGKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.5
• 重原子数：
  82
• 可旋转键数：
  3
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  212
• 氢给体数：
  7
• 氢受体数：
  13