[6-[6-[1-(3,4,5,11,17,18,19-Heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl)-3-oxo-1-(3,4,5-trihydroxybenzoyl)oxypropan-2-yl]oxycarbonyl-2,3,4-trihydroxyphenoxy]-7,13,14-trihydroxy-10-oxoniumylidene-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-4,6,11,13,15-pentaen-3-ylidene]oxidanium

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: [6-[6-[1-(3,4,5,11,17,18,19-Heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl)-3-oxo-1-(3,4,5-trihydroxybenzoyl)oxypropan-2-yl]oxycarbonyl-2,3,4-trihydroxyphenoxy]-7,13,14-trihydroxy-10-oxoniumylidene-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-4,6,11,13,15-pentaen-3-ylidene]oxidanium
• 英文别名: [6-[6-[1-(3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl)-3-oxo-1-(3,4,5-trihydroxybenzoyl)oxypropan-2-yl]oxycarbonyl-2,3,4-trihydroxyphenoxy]-7,13,14-trihydroxy-10-oxoniumylidene-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-4,6,11,13,15-pentaen-3-ylidene]oxidanium
• 化学式: C48H34O30+2
• 分子量: 1090.8
• InChiKey: OLLFWCJCIFORMG-UHFFFAOYSA-P

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  78
• 可旋转键数：
  11
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  476
• 氢给体数：
  18
• 氢受体数：
  28