2-(3,4-Dihydroxyphenyl)-3-[(O-beta-D-glucopyranosyl-(1-->2)-O-[beta-D-glucopyranosyl-(1-->6)]-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one
PubChem CID: 74978164
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| Compound Synonyms | 2-(3,4-Dihydroxyphenyl)-3-[(O-beta-D-glucopyranosyl-(1-->2)-O-[beta-D-glucopyranosyl-(1-->6)]-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 365.0 |
| Hydrogen Bond Donor Count | 14.0 |
| Inchi Key | QSUCYXFFQLQGKE-UHFFFAOYSA-N |
| Rotatable Bond Count | 10.0 |
| Synonyms | 3,3',4',5,7-Pentahydroxyflavone 3-O-[b-D-glucopyranosyl-(1->2)-[b-D-glucopyranosyl-(1->6)]-b-D-glucopyranoside], Quercetin 3-(2G-glucosylgentiobioside), Quercetin 3-O-[b-D-glucopyranosyl-(1->2)-[b-D-glucopyranosyl-(1->6)]-b-D-glucopyranoside] |
| Heavy Atom Count | 55.0 |
| Compound Name | 2-(3,4-Dihydroxyphenyl)-3-[(O-beta-D-glucopyranosyl-(1-->2)-O-[beta-D-glucopyranosyl-(1-->6)]-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one |
| Description | Isolated from soya bean leaves (Glycine max). Quercetin 3-(2G-glucosylgentiobioside) is found in soy bean and pulses. |
| Exact Mass | 788.201 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 788.201 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1340.0 |
| Hydrogen Bond Acceptor Count | 22.0 |
| Molecular Weight | 788.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-3-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxychromen-4-one |
| Total Atom Stereocenter Count | 15.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C33H40O22/c34-6-15-19(40)23(44)26(47)31(51-15)49-8-17-21(42)25(46)30(55-32-27(48)24(45)20(41)16(7-35)52-32)33(53-17)54-29-22(43)18-13(39)4-10(36)5-14(18)50-28(29)9-1-2-11(37)12(38)3-9/h1-5,15-17,19-21,23-27,30-42,44-48H,6-8H2 |
| Smiles | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O |
| Xlogp | -3.4 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C33H40O22 |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all