HCID3594

Hesperetin-7-Rutinoside

5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one

C28H34O15610.6 g/molCAS 520-26-3

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IDENTITY

结构与身份

标准SMILES: COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3O2)cc1O
InChIKey: QUQPHWDTPGMPEX-UHFFFAOYSA-N
分子式: C28H34O15
平均分子量: 610.6 g/mol
单同位素质量: 610.18977037

COMPUTED

结构计算性质

已同步

XLogP: -1.1
极性表面积: 234 Å²
氢键供体: 8
氢键受体: 15
可旋转键: 7
重原子: 43
形式电荷: 0
复杂度: 940

ALIASES

名称与别名

共 38 条

Hesperetin-7-rutinosideRefChem:1086470Hesperidin, (2S)-USAF CF-3Hesperidin, (S)-(-)-Hesperitin-7-rhamnoglucosideHesperedinAtripliside B5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{3,4,5-trihydroxy-6-[(3,4,5-trihydro xy-6-methyl(2H-3,4,5,6-tetrahydropyran-2-yloxy))methyl](2H-3,4,5,6-tetrahydrop yran-2-yloxy)}chroman-4-oneHesperetin-7-O-rutinoside5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxyhexopyranosyl)hexopyranosideC28H34O15NSC 44184Hesperetin, 7-(6-O-(6-deoxy-.alpha.-L-mannopyranosyl))-.beta.-D-glucopyranoside)Hesperetin, 7-[6-O-(6-deoxy-.alpha.-L-mannopyranosyl)]-.beta.-D-glucopyranoside)Hesperidin [M+H]+Usaf cf-3 f1 gluco rhamnoSCHEMBL765367CHEMBL1535112SCHEMBL30595473

REACTIONS

参与反应

1 条

uspto-grants-2002_07 · 10.6084/m9.figshare.5104873.v1 · US06426362B1

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