Carthamoside A1
PubChem CID: 101412415
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| Compound Synonyms | Carthamoside A1 |
|---|---|
| Topological Polar Surface Area | 77.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | DWCYZAGYVGTNEU-PYUPSREBSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | (-)-Carthamoside A1, 4',6'-Acetonide-8Z-decane-4,6-diyne-1-O-beta-D-glucopyranoside |
| Heavy Atom Count | 25.0 |
| Compound Name | Carthamoside A1 |
| Description | Carthamoside a1 is a member of the class of compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Carthamoside a1 is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Carthamoside a1 can be found in safflower, which makes carthamoside a1 a potential biomarker for the consumption of this food product. |
| Exact Mass | 350.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 350.173 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 598.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 350.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (4aR,6R,7R,8R,8aS)-6-[(Z)-dec-8-en-4,6-diynoxy]-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C19H26O6/c1-4-5-6-7-8-9-10-11-12-22-18-16(21)15(20)17-14(24-18)13-23-19(2,3)25-17/h4-5,14-18,20-21H,10-13H2,1-3H3/b5-4-/t14-,15-,16-,17-,18-/m1/s1 |
| Smiles | C/C=C\C#CC#CCCCO[C@H]1[C@@H]([C@H]([C@H]2[C@H](O1)COC(O2)(C)C)O)O |
| Xlogp | 1.4 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C19H26O6 |
- 1. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Source_db:fooddb_chem_all