4-Methoxybenzyl glucoside
PubChem CID: 22183154
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| Compound Synonyms | 4-Methoxybenzyl glucoside, (4-Methoxyphenyl)methyl beta-D-glucopyranoside, 81381-72-8, 2-(HYDROXYMETHYL)-6-[(4-METHOXYPHENYL)METHOXY]OXANE-3,4,5-TRIOL, p-Anisyl glucoside, SCHEMBL23266259, CHEBI:168353 |
|---|---|
| Topological Polar Surface Area | 109.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 21.0 |
| Description | Present in fennel and marrow (flowers). 4-Methoxybenzyl glucoside is found in herbs and spices and fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 306.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(hydroxymethyl)-6-[(4-methoxyphenyl)methoxy]oxane-3,4,5-triol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -0.7 |
| Is Pains | False |
| Molecular Formula | C14H20O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GRBSGJQPRONUPW-UHFFFAOYSA-N |
| Fcsp3 | 0.5714285714285714 |
| Rotatable Bond Count | 5.0 |
| Synonyms | 4-Methoxybenzyl glucoside, p-Anisyl glucoside |
| Compound Name | 4-Methoxybenzyl glucoside |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.121 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 300.121 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 300.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.1234319714285714 |
| Inchi | InChI=1S/C14H20O7/c1-19-9-4-2-8(3-5-9)7-20-14-13(18)12(17)11(16)10(6-15)21-14/h2-5,10-18H,6-7H2,1H3 |
| Smiles | COC1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Source_db:cmaup_ingredients