25,42,46-Trihydroxy-19-(20-hydroxy-5-azaheptacyclo[11.10.2.02,6.08,23.010,22.014,22.016,20]pentacosa-1(23),2(6),3,7-tetraen-3-yl)-25-(hydroxymethyl)-15-methoxy-20,23,27,44-tetraoxa-38-azadecacyclo[22.18.2.122,26.135,38.02,14.03,11.04,41.05,9.016,43.031,36]hexatetraconta-1(43),2(14),3,10,15,17,31(36),32,34,41-decaen-28-yne-40,45-dione

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 25,42,46-Trihydroxy-19-(20-hydroxy-5-azaheptacyclo[11.10.2.02,6.08,23.010,22.014,22.016,20]pentacosa-1(23),2(6),3,7-tetraen-3-yl)-25-(hydroxymethyl)-15-methoxy-20,23,27,44-tetraoxa-38-azadecacyclo[22.18.2.122,26.135,38.02,14.03,11.04,41.05,9.016,43.031,36]hexatetraconta-1(43),2(14),3,10,15,17,31(36),32,34,41-decaen-28-yne-40,45-dione
• 英文别名: 25,42,46-trihydroxy-19-(20-hydroxy-5-azaheptacyclo[11.10.2.02,6.08,23.010,22.014,22.016,20]pentacosa-1(23),2(6),3,7-tetraen-3-yl)-25-(hydroxymethyl)-15-methoxy-20,23,27,44-tetraoxa-38-azadecacyclo[22.18.2.122,26.135,38.02,14.03,11.04,41.05,9.016,43.031,36]hexatetraconta-1(43),2(14),3,10,15,17,31(36),32,34,41-decaen-28-yne-40,45-dione
• 化学式: C₆₇H₆₈N₂O₁₂
• 分子量: 1093.3
• InChiKey: DAGWYMNSKJWXSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  81
• 可旋转键数：
  3
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  201
• 氢给体数：
  6
• 氢受体数：
  12