5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one · CAS 710952-13-9
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
- CAS
- 710952-13-9
- CID
- 91825844
- IUPAC 名称
- 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
- CAS
- 710952-13-9
- CID
- 91825844
- IUPAC 名称
- 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
分子属性
- 分子式
- C22H22O11
- 分子量
- 462.4 g/mol
- 精确质量
- 462.11621151 Da
- 单同位素质量
- 462.11621151 Da
- XLogP
- 0.8
- 极性表面积
- 175 Ų
- 氢键供体
- 6
- 氢键受体
- 11
- 可旋转键
- 5
- 重原子数
- 33
- 净电荷
- 0
- 结构复杂度
- 721
结构标识
- InChIKey
- VEFXIXFPSFIBMM-KLVRCBFASA-N
- SMILES
- COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=CC=C(C=C3)O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
- InChI
- InChI=1S/C22H22O11/c1-30-14-7-12(26)16-11(25)6-13(9-2-4-10(24)5-3-9)31-21(16)20(14)33-22-19(29)18(28)17(27)15(8-23)32-22/h2-7,15,17-19,22-24,26-29H,8H2,1H3/t15-,17-,18+,19-,22?/m1/s1