5-Hydroxy-7,3',4'-trimethoxy-8-methylisoflavone 5-neohesperidoside
PubChem CID: 131751059
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| Compound Synonyms | 5-Hydroxy-7,3',4'-trimethoxy-8-methylisoflavone 5-neohesperidoside, CHEBI:168866, 5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3-(3,4-dimethoxyphenyl)-7-methoxy-8-methylchromen-4-one |
|---|---|
| Topological Polar Surface Area | 212.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Inchi Key | HBIBVIWVUMZFQY-UHFFFAOYSA-N |
| Rotatable Bond Count | 9.0 |
| Synonyms | 5-Hydroxy-7,3',4'-trimethoxy-8-methylisoflavone 5-neohesperidoside, 5-Hydroxy-7,3',4'-trimethoxy-8-methylisoflavone 5-O-neohesperidoside |
| Heavy Atom Count | 46.0 |
| Compound Name | 5-Hydroxy-7,3',4'-trimethoxy-8-methylisoflavone 5-neohesperidoside |
| Description | Constituent of seeds of Dolichos biflorus (papadi). 5-Hydroxy-7,3',4'-trimethoxy-8-methylisoflavone 5-neohesperidoside is found in fruits and cowpea. |
| Exact Mass | 650.221 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 650.221 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1060.0 |
| Hydrogen Bond Acceptor Count | 15.0 |
| Molecular Weight | 650.6 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3-(3,4-dimethoxyphenyl)-7-methoxy-8-methylchromen-4-one |
| Total Atom Stereocenter Count | 10.0 |
| Nih Violation | False |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C31H38O15/c1-12-17(40-4)9-19(21-23(34)15(11-42-28(12)21)14-6-7-16(39-3)18(8-14)41-5)44-31-29(26(37)24(35)20(10-32)45-31)46-30-27(38)25(36)22(33)13(2)43-30/h6-9,11,13,20,22,24-27,29-33,35-38H,10H2,1-5H3 |
| Smiles | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C4C(=C(C(=C3)OC)C)OC=C(C4=O)C5=CC(=C(C=C5)OC)OC)CO)O)O)O)O)O |
| Xlogp | 0.2 |
| Is Pains | False |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C31H38O15 |
- 1. Outgoing r'ship
FOUND_INto/from Vigna Unguiculata (Plant) Rel Props:Source_db:fooddb_chem_all