2-(3,4-Dihydroxyphenyl)-8-beta-D-glucopyranosyl-5,7-dihydroxy-6-beta-D-xylopyranosyl-4H-1-benzopyran-4-one
PubChem CID: 73802481
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| Compound Synonyms | Isocarlinoside, 2-(3,4-Dihydroxyphenyl)-8-beta-D-glucopyranosyl-5,7-dihydroxy-6-beta-D-xylopyranosyl-4H-1-benzopyran-4-one, 35927-39-0, 83151-90-0, 6-Arabinosyl-8-glucosylluteolin, DA-69604, 6-Arabinopyranosyl-8-glucopyranosylluteolin, 6-Arabinopyranosyl-8-glucopyranosyl-3',4',5,7-tetrahydroxyflavone, 6-a-L-Arabinopyranosyl-2-(3,4-dihydroxyphenyl)-8-b-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one, 9CI |
|---|---|
| Topological Polar Surface Area | 267.0 |
| Hydrogen Bond Donor Count | 11.0 |
| Heavy Atom Count | 41.0 |
| Description | Isolated from Glycine max (soybean). Isocarlinoside is found in soy bean and pulses. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 979.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P21964, O00204, P22309, P0DMM9 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one |
| Nih Violation | True |
| Class | Flavonoids |
| Xlogp | -2.5 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | True |
| Subclass | Flavonoid glycosides |
| Molecular Formula | C26H28O15 |
| Inchi Key | WYYFCTVKFALPQV-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | 6-a-L-Arabinopyranosyl-2-(3,4-dihydroxyphenyl)-8-b-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one, 9CI, 6-Arabinopyranosyl-8-glucopyranosyl-3',4',5,7-tetrahydroxyflavone, 6-Arabinopyranosyl-8-glucopyranosylluteolin, 6-Arabinosyl-8-glucosylluteolin, 6-a-L-Arabinopyranosyl-2-(3,4-dihydroxyphenyl)-8-b-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one, 9ci |
| Compound Name | 2-(3,4-Dihydroxyphenyl)-8-beta-D-glucopyranosyl-5,7-dihydroxy-6-beta-D-xylopyranosyl-4H-1-benzopyran-4-one |
| Kingdom | Organic compounds |
| Exact Mass | 580.143 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 580.143 |
| Hydrogen Bond Acceptor Count | 15.0 |
| Molecular Weight | 580.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C26H28O15/c27-5-13-18(33)21(36)23(38)26(41-13)16-20(35)15(25-22(37)17(32)11(31)6-39-25)19(34)14-10(30)4-12(40-24(14)16)7-1-2-8(28)9(29)3-7/h1-4,11,13,17-18,21-23,25-29,31-38H,5-6H2 |
| Smiles | C1C(C(C(C(O1)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC(=C(C=C4)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Flavonoid 8-C-glycosides |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Linum Usitatissimum (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Tragopogon Porrifolius (Plant) Rel Props:Source_db:fooddb_chem_all