20-[3a-(2,3-Dihydroxypropyl)-1,2,3,4,5,7a-hexahydroinden-5-yl]-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-[3a-(2,3-Dihydroxypropyl)-1,2,3,4,5,7a-hexahydroinden-5-yl]-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-[3a-(2,3-dihydroxypropyl)-1,2,3,4,5,7a-hexahydroinden-5-yl]-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: C₅₅H₆₃N₃O₈S₂
• 分子量: 958.2
• InChiKey: YPJNVFUAPXFXJI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  68
• 可旋转键数：
  5
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  263
• 氢给体数：
  8
• 氢受体数：
  12