Guaicylglycerol
PubChem CID: 45482328
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| Compound Synonyms | Guaicylglycerol, CHEMBL573104, 1-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)propane-1,3-diol |
|---|---|
| Topological Polar Surface Area | 90.2 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 195.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)propane-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | -1.1 |
| Molecular Formula | C11H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SKRUGJGVXQATKU-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -0.73 |
| Rotatable Bond Count | 5.0 |
| Logd | 0.069 |
| Compound Name | Guaicylglycerol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 228.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 228.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 228.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.4340127999999999 |
| Inchi | InChI=1S/C11H16O5/c1-16-10-4-7(2-3-9(10)14)11(15)8(5-12)6-13/h2-4,8,11-15H,5-6H2,1H3 |
| Smiles | COC1=C(C=CC(=C1)C(C(CO)CO)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Daphne Feddei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all