b-D-Fructofuranosyl O-a-D-galactopyranosyl-(1->2)-a-D-glucopyranoside, 9CI
PubChem CID: 4479106
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | b-D-Fructofuranosyl O-a-D-galactopyranosyl-(1->2)-a-D-glucopyranoside, 9CI |
|---|---|
| Topological Polar Surface Area | 269.0 |
| Hydrogen Bond Donor Count | 11.0 |
| Heavy Atom Count | 34.0 |
| Description | Isolated from roots of Angelica archangelica (angelica) and other subspecies in the Umbelliferae. Umbelliferose is found in many foods, some of which are carrot, green vegetables, wild carrot, and fats and oils. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 655.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[2-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Nih Violation | True |
| Class | Organooxygen compounds |
| Xlogp | -5.3 |
| Superclass | Organic oxygen compounds |
| Is Pains | False |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Molecular Formula | C18H32O16 |
| Inchi Key | LNRUEZIDUKQGRH-UHFFFAOYSA-N |
| Rotatable Bond Count | 8.0 |
| Synonyms | b-D-Fructofuranosyl O-a-D-galactopyranosyl-(1->2)-a-D-glucopyranoside, 9CI, b-D-Fructofuranosyl O-a-D-galactopyranosyl-(1->2)-a-D-glucopyranoside, 9ci |
| Compound Name | b-D-Fructofuranosyl O-a-D-galactopyranosyl-(1->2)-a-D-glucopyranoside, 9CI |
| Kingdom | Organic compounds |
| Exact Mass | 504.169 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 504.169 |
| Hydrogen Bond Acceptor Count | 16.0 |
| Molecular Weight | 504.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 14.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Inchi | InChI=1S/C18H32O16/c19-1-5-8(23)11(26)13(28)16(30-5)32-14-12(27)9(24)6(2-20)31-17(14)34-18(4-22)15(29)10(25)7(3-21)33-18/h5-17,19-29H,1-4H2 |
| Smiles | C(C1C(C(C(C(O1)OC2C(C(C(OC2OC3(C(C(C(O3)CO)O)O)CO)CO)O)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | O-glycosyl compounds |
- 1. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:fooddb_chem_all