2'-Hydroxydaidzein 4',7-diglucoside
PubChem CID: 131752613
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| Compound Synonyms | 2'-Hydroxydaidzein 4',7-diglucoside |
|---|---|
| Topological Polar Surface Area | 245.0 |
| Hydrogen Bond Donor Count | 9.0 |
| Inchi Key | DNPGZHRLHFUCNR-UHFFFAOYSA-N |
| Rotatable Bond Count | 7.0 |
| Synonyms | 2'-Hydroxydaidzein 4',7-diglucoside, 2'-Hydroxydaidzein 7,4'-di-O-glucoside, 2',4',7-Trihydroxyisoflavone 4',7-di-O-b-D-glucopyranoside, 2',4',7-Trihydroxyisoflavone 4',7-diglucoside |
| Heavy Atom Count | 42.0 |
| Compound Name | 2'-Hydroxydaidzein 4',7-diglucoside |
| Description | Stress metabolite from cell suspension cultures of Vigna angularis (azuki bean). 2'-Hydroxydaidzein 4',7-diglucoside is found in pulses and adzuki bean. |
| Exact Mass | 594.158 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 594.158 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 964.0 |
| Hydrogen Bond Acceptor Count | 15.0 |
| Molecular Weight | 594.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[2-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C27H30O15/c28-7-17-20(32)22(34)24(36)26(41-17)39-10-1-3-12(15(30)5-10)14-9-38-16-6-11(2-4-13(16)19(14)31)40-27-25(37)23(35)21(33)18(8-29)42-27/h1-6,9,17-18,20-30,32-37H,7-8H2 |
| Smiles | C1=CC(=C(C=C1OC2C(C(C(C(O2)CO)O)O)O)O)C3=COC4=C(C3=O)C=CC(=C4)OC5C(C(C(C(O5)CO)O)O)O |
| Xlogp | -1.5 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C27H30O15 |
- 1. Outgoing r'ship
FOUND_INto/from Vigna Angularis (Plant) Rel Props:Source_db:fooddb_chem_all