29-(Diaminomethyl)-3,11,22-trihydroxy-20-[2-[14-hydroxy-3,14-bis(hydroxymethyl)-12-tetracyclo[10.5.2.01,11.04,9]nonadeca-4,6,8,18-tetraenyl]ethyl]-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: 29-(Diaminomethyl)-3,11,22-trihydroxy-20-[2-[14-hydroxy-3,14-bis(hydroxymethyl)-12-tetracyclo[10.5.2.01,11.04,9]nonadeca-4,6,8,18-tetraenyl]ethyl]-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: 29-(diaminomethyl)-3,11,22-trihydroxy-20-[2-[14-hydroxy-3,14-bis(hydroxymethyl)-12-tetracyclo[10.5.2.01,11.04,9]nonadeca-4,6,8,18-tetraenyl]ethyl]-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: C₆₆H₇₅N₃O₉S₂
• 分子量: 1118.4
• InChiKey: JONHEDDTYABQPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  80
• 可旋转键数：
  6
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  283
• 氢给体数：
  9
• 氢受体数：
  13