Eriodictyol 7-O--D-glucoside
PubChem CID: 5319853
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| Compound Synonyms | Eriodictyol-7-O-glucoside, Eriodictyol 7-O--D-glucoside, CHEMBL4238555, SCHEMBL20437868, 38965-51-4, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-, (S)- |
|---|---|
| Topological Polar Surface Area | 186.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 662.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 0.2 |
| Molecular Formula | C21H22O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RAFHNDRXYHOLSH-RGHIGTIISA-N |
| Fcsp3 | 0.3809523809523809 |
| Logs | -3.937 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.25 |
| Compound Name | Eriodictyol 7-O--D-glucoside |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 450.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 450.116 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 450.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8349552000000005 |
| Inchi | InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2/t14?,16-,18-,19+,20-,21-/m1/s1 |
| Smiles | C1C(OC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC(=C(C=C4)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Miscanthus Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients