2'-Hydroxygenistein 7-(6''-malonylglucoside)
PubChem CID: 131752588
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| Compound Synonyms | 2'-Hydroxygenistein 7-(6''-malonylglucoside), CHEBI:175967, 2'-Hydroxygenistein 7-O-(6''-malonylglucoside), 5,7,2',4'-Tetrahydroxyisoflavone 7-O-(6''-malonylglucoside), 3-[[6-[3-(2,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid |
|---|---|
| Topological Polar Surface Area | 230.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Inchi Key | QFCNXJBZARIFSY-UHFFFAOYSA-N |
| Rotatable Bond Count | 8.0 |
| Synonyms | 2'-Hydroxygenistein 7-(6''-malonylglucoside), 2'-Hydroxygenistein 7-O-(6''-malonylglucoside), 5,7,2',4'-Tetrahydroxyisoflavone 7-O-(6''-malonylglucoside) |
| Heavy Atom Count | 38.0 |
| Compound Name | 2'-Hydroxygenistein 7-(6''-malonylglucoside) |
| Description | Isolated from the roots of Lupinius albus (white lupin). 2'-Hydroxygenistein 7-(6''-malonylglucoside) is found in pulses and white lupine. |
| Exact Mass | 534.101 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 534.101 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 922.0 |
| Hydrogen Bond Acceptor Count | 14.0 |
| Molecular Weight | 534.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[[6-[3-(2,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C24H22O14/c25-9-1-2-11(13(26)3-9)12-7-35-15-5-10(4-14(27)19(15)20(12)31)37-24-23(34)22(33)21(32)16(38-24)8-36-18(30)6-17(28)29/h1-5,7,16,21-27,32-34H,6,8H2,(H,28,29) |
| Smiles | C1=CC(=C(C=C1O)O)C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O |
| Xlogp | 0.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C24H22O14 |
- 1. Outgoing r'ship
FOUND_INto/from Lupinus Albus (Plant) Rel Props:Source_db:fooddb_chem_all