(2R,4S)-2-(4-hydroxy-3-methylphenyl)-3,4-dihydro-2H-chromene-4,5,7-triol
PubChem CID: 162980072
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| Topological Polar Surface Area | 90.2 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 363.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,4S)-2-(4-hydroxy-3-methylphenyl)-3,4-dihydro-2H-chromene-4,5,7-triol |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C16H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VSTNKEFYHIVZJZ-UONOGXRCSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.035 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.416 |
| Compound Name | (2R,4S)-2-(4-hydroxy-3-methylphenyl)-3,4-dihydro-2H-chromene-4,5,7-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 288.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 288.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.244310942857143 |
| Inchi | InChI=1S/C16H16O5/c1-8-4-9(2-3-11(8)18)14-7-13(20)16-12(19)5-10(17)6-15(16)21-14/h2-6,13-14,17-20H,7H2,1H3/t13-,14+/m0/s1 |
| Smiles | CC1=C(C=CC(=C1)[C@H]2C[C@@H](C3=C(C=C(C=C3O2)O)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arundina Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients