Daidzein 7,4'-di-O-glucoside
PubChem CID: 131751509
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| Compound Synonyms | Daidzein 4',7-diglucoside, Daidzein 7,4'-di-O-glucoside |
|---|---|
| Topological Polar Surface Area | 225.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Heavy Atom Count | 41.0 |
| Description | Stress metabolite of cell cultures of azuki bean (Vigna angularis). Daidzein 4',7-diglucoside is found in pulses and adzuki bean. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 924.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one |
| Nih Violation | True |
| Class | Isoflavonoids |
| Xlogp | -1.1 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Isoflavonoid O-glycosides |
| Molecular Formula | C27H30O14 |
| Inchi Key | VWEWSCDQMVNOJP-UHFFFAOYSA-N |
| Rotatable Bond Count | 7.0 |
| State | Solid |
| Synonyms | 4',7-Dihydroxyisoflavone 4',7-di-O-b-D-glucopyranoside, 4',7-Dihydroxyisoflavone 4',7-diglucoside, Daidzein 4',7-diglucoside, Daidzein 7,4'-di-O-glucoside, Daidzein-4,7-diglucoside |
| Compound Name | Daidzein 7,4'-di-O-glucoside |
| Kingdom | Organic compounds |
| Exact Mass | 578.164 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 578.164 |
| Hydrogen Bond Acceptor Count | 14.0 |
| Molecular Weight | 578.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C27H30O14/c28-8-17-20(31)22(33)24(35)26(40-17)38-12-3-1-11(2-4-12)15-10-37-16-7-13(5-6-14(16)19(15)30)39-27-25(36)23(34)21(32)18(9-29)41-27/h1-7,10,17-18,20-29,31-36H,8-9H2 |
| Smiles | C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Isoflavonoid O-glycosides |
- 1. Outgoing r'ship
FOUND_INto/from Vigna Angularis (Plant) Rel Props:Source_db:fooddb_chem_all