6-O-Acetylarbutin
PubChem CID: 14542705
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| Compound Synonyms | 6-O-Acetylarbutin, 10338-88-2, [3,4,5-TRIHYDROXY-6-(4-HYDROXYPHENOXY)OXAN-2-YL]METHYL ACETATE, CHEBI:167933, DA-49942, G88993 |
|---|---|
| Topological Polar Surface Area | 126.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 22.0 |
| Description | Constituent of the leaves of immature pear (Pyrus communis) and mountain cranberry (Vaccinium vitis-idaea). 6-O-Acetylarbutin is found in many foods, some of which are fruits, pear, pomes, and cereals and cereal products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 368.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl acetate |
| Nih Violation | False |
| Class | Organooxygen compounds |
| Xlogp | -0.7 |
| Superclass | Organic oxygen compounds |
| Is Pains | False |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Molecular Formula | C14H18O8 |
| Inchi Key | XABUTYXAHYMCDK-UHFFFAOYSA-N |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Synonyms | 6-O-Acetylarbutin, Pyroside, [3,4,5-Trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl acetic acid |
| Compound Name | 6-O-Acetylarbutin |
| Kingdom | Organic compounds |
| Exact Mass | 314.1 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 314.1 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 314.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Inchi | InChI=1S/C14H18O8/c1-7(15)20-6-10-11(17)12(18)13(19)14(22-10)21-9-4-2-8(16)3-5-9/h2-5,10-14,16-19H,6H2,1H3 |
| Smiles | CC(=O)OCC1C(C(C(C(O1)OC2=CC=C(C=C2)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Phenolic glycosides |
- 1. Outgoing r'ship
FOUND_INto/from Pyrus Communis (Plant) Rel Props:Source_db:fooddb_chem_all