25,42,46-Trihydroxy-19-[3-hydroxy-9'-(2-hydroxyethyl)spiro[17-azahexacyclo[11.9.1.01,9.03,7.014,18.020,23]tricosa-13(23),14(18),15,19-tetraene-11,3'-6,7-dithiatricyclo[8.2.1.11,4]tetradecane]-15-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-[3-hydroxy-9'-(2-hydroxyethyl)spiro[17-azahexacyclo[11.9.1.01,9.03,7.014,18.020,23]tricosa-13(23),14(18),15,19-tetraene-11,3'-6,7-dithiatricyclo[8.2.1.11,4]tetradecane]-15-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-[3-hydroxy-9'-(2-hydroxyethyl)spiro[17-azahexacyclo[11.9.1.01,9.03,7.014,18.020,23]tricosa-13(23),14(18),15,19-tetraene-11,3'-6,7-dithiatricyclo[8.2.1.11,4]tetradecane]-15-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: C₇₈H₈₆N₂O₁₃S₂
• 分子量: 1323.7
• InChiKey: DIARQTRBUSZHGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.2
• 重原子数：
  95
• 可旋转键数：
  5
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  271
• 氢给体数：
  7
• 氢受体数：
  15