(+)-catechin 7-O-beta-D-xyloside
PubChem CID: 73533
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| Compound Synonyms | Catechin 7-xyloside, 42830-48-8, Catechin-7-O-, A-D-xylopyranoside, Catechin 7-O-beta-D-xyloside, (+)-catechin 7-O-beta-D-xyloside, Catechin-7-O-beta-D-xylopyranoside, NSC115491, (2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl beta-D-xylopyranoside, Catechin7-xyloside, (2S,3R,4S,5R)-2-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]oxane-3,4,5-triol, NSC 115491, catechin-7-o-xyloside, (+)-Catechin-7-O-beta-D-xylopyranoside, SCHEMBL8591684, Catechin-7-O--D-xylopyranoside, CHEBI:28117, HY-N3554, AKOS027250678, FS-9889, (+)-CATECHIN 7-O-?-D-XYLOSIDE, CATECHIN7-O-BETA-D-GLUCOPYRANOSIDE, CS-0023834, C09617, G89277, Q27103512, (+)-Catechin 7--D-xylopyranoside, (+)-Catechol 7--D-xylopyranoside, NSC 115491, (2S,3R,4S,5R)-2-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-chroman-7-yl]oxytetrahydropyran-3,4,5-triol, .beta.-D-Xylopyranoside, (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5-dihydroxy-2H-1-benzopyran-7-yl |
|---|---|
| Topological Polar Surface Area | 169.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 30.0 |
| Description | Catechin 7-xyloside is a member of the class of compounds known as flavonoid-7-o-glycosides. Flavonoid-7-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Catechin 7-xyloside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Catechin 7-xyloside can be found in common hazelnut, which makes catechin 7-xyloside a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 578.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (2S,3R,4S,5R)-2-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]oxane-3,4,5-triol |
| Nih Violation | False |
| Class | Flavonoids |
| Xlogp | -1.4 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | True |
| Subclass | Flavonoid glycosides |
| Molecular Formula | C20H22O10 |
| Inchi Key | UQKKDJWFQBNZBJ-MLYGIHNMSA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | (+)-Catechin 7-O-beta-D-xylopyranoside, Catechin 7-xyloside, Catechin 7-O-beta-D-xyloside, Catechin 7-O-b-D-xyloside, Catechin 7-O-β-D-xyloside, (+)-Catechin 7-O-b-D-xyloside, (+)-Catechin 7-O-β-D-xyloside |
| Compound Name | (+)-catechin 7-O-beta-D-xyloside |
| Kingdom | Organic compounds |
| Exact Mass | 422.121 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 422.121 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 422.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C20H22O10/c21-11-2-1-8(3-13(11)23)19-14(24)6-10-12(22)4-9(5-16(10)30-19)29-20-18(27)17(26)15(25)7-28-20/h1-5,14-15,17-27H,6-7H2/t14-,15+,17-,18+,19+,20-/m0/s1 |
| Smiles | C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)C4=CC(=C(C=C4)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Flavonoid-7-O-glycosides |
- 1. Outgoing r'ship
FOUND_INto/from Corylus Avellana (Plant) Rel Props:Source_db:fooddb_chem_all