2-[[3-(6-Ethyl-3,4,5-trihydroxyoxan-2-yl)-2,3,4-trihydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyl]-6-oxocyclohexa-1,4-dien-1-yl]methylidene]-5,6-dihydroxy-4-[3-(4-hydroxyphenyl)prop-2-enoyl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 2-[[3-(6-Ethyl-3,4,5-trihydroxyoxan-2-yl)-2,3,4-trihydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyl]-6-oxocyclohexa-1,4-dien-1-yl]methylidene]-5,6-dihydroxy-4-[3-(4-hydroxyphenyl)prop-2-enoyl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione
• 英文别名: 2-[[3-(6-ethyl-3,4,5-trihydroxyoxan-2-yl)-2,3,4-trihydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyl]-6-oxocyclohexa-1,4-dien-1-yl]methylidene]-5,6-dihydroxy-4-[3-(4-hydroxyphenyl)prop-2-enoyl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione
• 化学式: C₄₄H₄₄O₂₁
• 分子量: 908.8
• InChiKey: DYQVDISPPLTLLR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  65
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  387
• 氢给体数：
  14
• 氢受体数：
  21