8-Galactopyranosyl-6-glucopyranosyl-4',5-dihydroxy-7-methoxyflavone
PubChem CID: 131752186
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| Compound Synonyms | 8-Galactopyranosyl-6-glucopyranosyl-4',5-dihydroxy-7-methoxyflavone, 8-Galactosyl-6-glucosylgenkwanin, CHEBI:176218, 8-Galactopyranosyl-6-glucopyranosylgenkwanin, 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one |
|---|---|
| Topological Polar Surface Area | 256.0 |
| Hydrogen Bond Donor Count | 10.0 |
| Inchi Key | GHHBRJNUNAWXEV-QVCVYZROSA-N |
| Rotatable Bond Count | 6.0 |
| Substituent Name | Flavonoid-8-c-glycoside, Methoxyflavonoid skeleton, 7-methoxyflavonoid-skeleton, Hydroxyflavonoid, Flavone, 5-hydroxyflavonoid, 4'-hydroxyflavonoid, Glycosyl compound, Chromone, C-glycosyl compound, 1-benzopyran, Methoxyphenol, Benzopyran, Anisole, Pyranone, Phenol, Alkyl aryl ether, Benzenoid, Pyran, Oxane, Monosaccharide, Saccharide, Monocyclic benzene moiety, Heteroaromatic compound, Vinylogous acid, Secondary alcohol, Polyol, 1,2-diol, Oxacycle, Organoheterocyclic compound, Ether, Dialkyl ether, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Alcohol, Aromatic heteropolycyclic compound |
| Synonyms | 6-C-Glucopyranosyl-8-C-galactopyranosylgenkwanin, 8-Galactopyranosyl-6-glucopyranosyl-4',5-dihydroxy-7-methoxyflavone, 8-Galactopyranosyl-6-glucopyranosylgenkwanin, 8-Galactosyl-6-glucosylgenkwanin, Genkwanin 6-C-glucoside 8-C-galactoside |
| Heavy Atom Count | 43.0 |
| Compound Name | 8-Galactopyranosyl-6-glucopyranosyl-4',5-dihydroxy-7-methoxyflavone |
| Kingdom | Organic compounds |
| Description | Isolated from roots of Glycine max (soybean). Genkwanin 6-C-glucoside 8-C-galactoside is found in soy bean and pulses. |
| Exact Mass | 608.174 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 608.174 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1000.0 |
| Hydrogen Bond Acceptor Count | 15.0 |
| Molecular Weight | 608.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 8.0 |
| Iupac Name | 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Class | Flavonoids |
| Inchi | InChI=1S/C28H32O15/c1-40-25-16(27-23(38)21(36)18(33)13(7-29)42-27)20(35)15-11(32)6-12(9-2-4-10(31)5-3-9)41-26(15)17(25)28-24(39)22(37)19(34)14(8-30)43-28/h2-6,13-14,18-19,21-24,27-31,33-39H,7-8H2,1H3/t13-,14-,18-,19+,21+,22+,23-,24-,27?,28?/m1/s1 |
| Smiles | COC1=C(C(=C2C(=O)C=C(OC2=C1C3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)C4=CC=C(C=C4)O)O)C5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O |
| Xlogp | -1.9 |
| Superclass | Phenylpropanoids and polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Flavonoid glycosides |
| Molecular Formula | C28H32O15 |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all