5-O-Methyleriodictyol 7-glucosyl-(1->4)-galactoside
PubChem CID: 42608066
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| Compound Synonyms | 5-O-Methyleriodictyol 7-glucosyl-(1->4)-galactoside, CHEBI:186367, DTXSID601103089, LMPK12140560, 114454-39-6, 5-Methyleriodictyol 7-[glucosyl-(1->4)-galactoside], 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-[(4-O-I(2)-D-glucopyranosyl-I(2)-D-galactopyranosyl)oxy]-2,3-dihydro-5-methoxy-, (S)-, 7-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one |
|---|---|
| Topological Polar Surface Area | 255.0 |
| Hydrogen Bond Donor Count | 9.0 |
| Inchi Key | CEJOKNKJINIMGF-UHFFFAOYSA-N |
| Rotatable Bond Count | 8.0 |
| Synonyms | 5-Methyleriodictyol 7-[glucosyl-(1->4)-galactoside], 5-Methyleriodictyol 7-O-[b-D-glucopyranosyl-(1->4)-b-D-galactopyranoside], 5-O-Methyleriodictyol 7-glucosyl-(1->4)-galactoside |
| Heavy Atom Count | 44.0 |
| Compound Name | 5-O-Methyleriodictyol 7-glucosyl-(1->4)-galactoside |
| Description | Constituent of the seeds of Fagopyrum esculentum (buckwheat). 5-Methyleriodictyol 7-[glucosyl-(1->4)-galactoside] is found in common buckwheat and cereals and cereal products. |
| Exact Mass | 626.185 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 626.185 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 957.0 |
| Hydrogen Bond Acceptor Count | 16.0 |
| Molecular Weight | 626.6 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one |
| Total Atom Stereocenter Count | 11.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C28H34O16/c1-39-16-5-11(6-17-20(16)14(33)7-15(41-17)10-2-3-12(31)13(32)4-10)40-27-25(38)23(36)26(19(9-30)43-27)44-28-24(37)22(35)21(34)18(8-29)42-28/h2-6,15,18-19,21-32,34-38H,7-9H2,1H3 |
| Smiles | COC1=CC(=CC2=C1C(=O)CC(O2)C3=CC(=C(C=C3)O)O)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O)O |
| Xlogp | -2.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C28H34O16 |
- 1. Outgoing r'ship
FOUND_INto/from Fagopyrum Esculentum (Plant) Rel Props:Source_db:fooddb_chem_all