2-[2-[28-Amino-2',8,13,22-tetrahydroxy-4,8-dimethyl-3'-(8-methylidene-2-oxa-15,16-dithiabicyclo[10.5.3]icosa-4,6,11-trien-18-yn-4-yl)-3,26-dioxospiro[24,27-diazapentacyclo[23.7.1.115,19.05,10.029,33]tetratriaconta-1(33),4,15(34),16,18,29,31-heptaene-9,1'-cyclopentane]-21-yl]-2-(4-hydroxyphenyl)ethyl]guanidine

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-[2-[28-Amino-2',8,13,22-tetrahydroxy-4,8-dimethyl-3'-(8-methylidene-2-oxa-15,16-dithiabicyclo[10.5.3]icosa-4,6,11-trien-18-yn-4-yl)-3,26-dioxospiro[24,27-diazapentacyclo[23.7.1.115,19.05,10.029,33]tetratriaconta-1(33),4,15(34),16,18,29,31-heptaene-9,1'-cyclopentane]-21-yl]-2-(4-hydroxyphenyl)ethyl]guanidine
• 英文别名: 2-[2-[28-amino-2',8,13,22-tetrahydroxy-4,8-dimethyl-3'-(8-methylidene-2-oxa-15,16-dithiabicyclo[10.5.3]icosa-4,6,11-trien-18-yn-4-yl)-3,26-dioxospiro[24,27-diazapentacyclo[23.7.1.115,19.05,10.029,33]tetratriaconta-1(33),4,15(34),16,18,29,31-heptaene-9,1'-cyclopentane]-21-yl]-2-(4-hydroxyphenyl)ethyl]guanidine
• 化学式: C₆₅H₈₂N₆O₈S₂
• 分子量: 1139.5
• InChiKey: DVGCLQMHDNTFHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  81
• 可旋转键数：
  5
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  310
• 氢给体数：
  10
• 氢受体数：
  13