3,4-Dimethoxyphenyl beta-D-glucoside
PubChem CID: 10313649
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| Compound Synonyms | 84812-00-0, 3,4-Dimethoxyphenyl beta-D-glucoside, 1,2-DINMETHOXY-PHENYL 4-O-BETA-D-GLUCOPYRANOSIDE, (2S,3R,4S,5S,6R)-2-(3,4-DIMETHOXYPHENOXY)-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL, 3,4-Dimethoxyphenyl glucoside, 3,4-dimethoxyphenyl-beta-d-glucopyranoside, (2S,3R,4S,5S,6R)-2-(3,4-Dimethoxyphenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, SCHEMBL3353611, CHEMBL2332682, 3,4-Dimethoxyphenylbeta-D-glucoside, AKOS022184621, FS-9092, NCGC00385732-01, 3,4-Dimethoxyphenyl-O--D-glucopyranoside, G83836 |
|---|---|
| Topological Polar Surface Area | 118.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 341.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2S,3R,4S,5S,6R)-2-(3,4-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol |
| Prediction Hob | 1.0 |
| Xlogp | -0.5 |
| Molecular Formula | C14H20O8 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZDLZDPFUIWTENT-RKQHYHRCSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -0.876 |
| Rotatable Bond Count | 5.0 |
| Logd | -0.109 |
| Compound Name | 3,4-Dimethoxyphenyl beta-D-glucoside |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 316.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.116 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 316.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.326415381818182 |
| Inchi | InChI=1S/C14H20O8/c1-19-8-4-3-7(5-9(8)20-2)21-14-13(18)12(17)11(16)10(6-15)22-14/h3-5,10-18H,6H2,1-2H3/t10-,11-,12+,13-,14-/m1/s1 |
| Smiles | COC1=C(C=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eurya Japonica (Plant) Rel Props:Source_db:cmaup_ingredients