cis-Resveratrol-3,4'-O-beta-diglucoside
PubChem CID: 157009792
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| Compound Synonyms | cis-Resveratrol-3,4'-O-beta-diglucoside |
|---|---|
| Topological Polar Surface Area | 250.0 |
| Hydrogen Bond Donor Count | 11.0 |
| Inchi Key | WIYHPRVDWYEDQB-QEBSQXKASA-N |
| Rotatable Bond Count | 6.0 |
| Heavy Atom Count | 40.0 |
| Compound Name | cis-Resveratrol-3,4'-O-beta-diglucoside |
| Description | Cis-resveratrol-3,4'-o-beta-diglucoside is a member of the class of compounds known as stilbene glycosides. Stilbene glycosides are compounds structurally characterized by the presence of a carbohydrate moiety glycosidically linked to the stilbene skeleton. Cis-resveratrol-3,4'-o-beta-diglucoside can be found in common grape, which makes cis-resveratrol-3,4'-o-beta-diglucoside a potential biomarker for the consumption of this food product. |
| Exact Mass | 570.195 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 570.195 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 647.0 |
| Hydrogen Bond Acceptor Count | 14.0 |
| Molecular Weight | 570.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 2.0 |
| Defined Atom Stereocenter Count | 10.0 |
| Iupac Name | (2S,3R,4S,5S,6R)-2-[4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, (2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C20H22O8.C6H12O6/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-5-3-11(4-6-15)1-2-12-7-13(22)9-14(23)8-12, 7-1-2-3(8)4(9)5(10)6(11)12-2/h1-9,16-26H,10H2, 2-11H,1H2/b2-1-, /t16-,17-,18+,19-,20-, 2-,3-,4+,5-,6-/m11/s1 |
| Smiles | C1=CC(=CC=C1/C=C\C2=CC(=CC(=C2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O.C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C26H34O14 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:fooddb_chem_all