20-[2-[15-Cyclopentyl-15-hydroxy-9-(hydroxymethyl)-17-tricyclo[9.6.0.03,8]heptadeca-3,5,7-trienyl]ethyl]-29-(diaminomethyl)-3,11,22-trihydroxy-9-oxa-25,26-dithia-36-azaheptacyclo[26.13.2.12,6.110,14.120,23.031,42.035,39]hexatetraconta-2,4,6(46),10,12,14(45),18,28(43),29,31(42),35(39),37-dodecaen-32-yne-17,40-dione

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 20-[2-[15-Cyclopentyl-15-hydroxy-9-(hydroxymethyl)-17-tricyclo[9.6.0.03,8]heptadeca-3,5,7-trienyl]ethyl]-29-(diaminomethyl)-3,11,22-trihydroxy-9-oxa-25,26-dithia-36-azaheptacyclo[26.13.2.12,6.110,14.120,23.031,42.035,39]hexatetraconta-2,4,6(46),10,12,14(45),18,28(43),29,31(42),35(39),37-dodecaen-32-yne-17,40-dione
• 英文别名: 20-[2-[15-cyclopentyl-15-hydroxy-9-(hydroxymethyl)-17-tricyclo[9.6.0.03,8]heptadeca-3,5,7-trienyl]ethyl]-29-(diaminomethyl)-3,11,22-trihydroxy-9-oxa-25,26-dithia-36-azaheptacyclo[26.13.2.12,6.110,14.120,23.031,42.035,39]hexatetraconta-2,4,6(46),10,12,14(45),18,28(43),29,31(42),35(39),37-dodecaen-32-yne-17,40-dione
• 化学式: C₆₈H₈₁N₃O₈S₂
• 分子量: 1132.5
• InChiKey: CKFIVMSCOPZNCQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.2
• 重原子数：
  81
• 可旋转键数：
  6
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  263
• 氢给体数：
  8
• 氢受体数：
  12