6-(Hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2,4,5-triol
PubChem CID: 21924842
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| Compound Synonyms | 6-(Hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2,4,5-triol, 26388-68-1, SAMBUBIOSE |
|---|---|
| Topological Polar Surface Area | 169.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 21.0 |
| Description | Isolated from Sambucus nigra (elderberry). Sambubiose is found in fruits and black elderberry. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 341.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2,4,5-triol |
| Nih Violation | True |
| Class | Carbohydrates and carbohydrate conjugates |
| Xlogp | -4.1 |
| Superclass | Organooxygen compounds |
| Is Pains | False |
| Subclass | Glycosyl compounds |
| Molecular Formula | C11H20O10 |
| Inchi Key | BUEBVQCTEJTADB-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Synonyms | Sambubiose |
| Substituent Name | O-glycosyl compound, Disaccharide, Oxane, Secondary alcohol, Polyol, Hemiacetal, 1,2-diol, Oxacycle, Organoheterocyclic compound, Ether, Acetal, Hydrocarbon derivative, Primary alcohol, Alcohol, Aliphatic heteromonocyclic compound |
| Compound Name | 6-(Hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2,4,5-triol |
| Kingdom | Organic compounds |
| Exact Mass | 312.106 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 312.106 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 312.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Inchi | InChI=1S/C11H20O10/c12-1-4-6(15)7(16)9(10(18)20-4)21-11-8(17)5(14)3(13)2-19-11/h3-18H,1-2H2 |
| Smiles | C1C(C(C(C(O1)OC2C(C(C(OC2O)CO)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | O-glycosyl compounds |
- 1. Outgoing r'ship
FOUND_INto/from Sambucus Nigra (Plant) Rel Props:Source_db:fooddb_chem_all