quercetin 3-O-[2-O-(6-O-E-feruloyl)-beta-D-glucopyranosyl]-beta-D-galactopyranoside
quercetin 3-O-[2-O-(6-O-E-feruloyl)-beta-D-glucopyranosyl]-beta-D-galactopyranoside · CAS 448948-20-7
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- quercetin 3-O-[2-O-(6-O-E-feruloyl)-beta-D-glucopyranosyl]-beta-D-galactopyranoside
- CAS
- 448948-20-7
- CID
- 10463057
- IUPAC 名称
- [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- quercetin 3-O-[2-O-(6-O-E-feruloyl)-beta-D-glucopyranosyl]-beta-D-galactopyranoside
- CAS
- 448948-20-7
- CID
- 10463057
- IUPAC 名称
- [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
分子属性
- 分子式
- C37H38O20
- 分子量
- 802.7 g/mol
- 精确质量
- 802.1956436 Da
- 单同位素质量
- 802.1956436 Da
- XLogP
- 0.5
- 极性表面积
- 321 Ų
- 氢键供体
- 11
- 氢键受体
- 20
- 可旋转键
- 12
- 重原子数
- 57
- 净电荷
- 0
- 结构复杂度
- 1440
结构标识
- InChIKey
- HUHCPMKLCPDUEY-XLXDBILHSA-N
- SMILES
- COC1=C(C=CC(=C1)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H]([C@H]([C@H](O[C@H]3OC4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC(=C(C=C6)O)O)CO)O)O)O)O)O)O
- InChI
- InChI=1S/C37H38O20/c1-51-21-8-14(2-5-18(21)41)3-7-25(44)52-13-24-28(46)30(48)32(50)36(55-24)57-35-31(49)27(45)23(12-38)54-37(35)56-34-29(47)26-20(43)10-16(39)11-22(26)53-33(34)15-4-6-17(40)19(42)9-15/h2-11,23-24,27-28,30-32,35-43,45-46,48-50H,12-13H2,1H3/b7-3+/t23-,24-,27+,28-,30+,31+,32-,35-,36+,37+/m1/s1