6-O-beta-D-Glucopyranuronosyl-D-galactose
PubChem CID: 101286238
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| Compound Synonyms | 6-O-beta-d-glucopyranuronosyl-d-galactose, 7264-19-9, DTXSID501281701, 6-O-I(2)-D-Glucopyranuronosyl-D-galactose |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 214.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Disaccharides |
| Deep Smiles | O=C[C@@H][C@H][C@H][C@@H]CO[C@@H]O[C@H]C=O)O))[C@H][C@@H][C@H]6O))O))O)))))))O))O))O))O |
| Heavy Atom Count | 24.0 |
| Classyfire Class | Fatty acyls |
| Scaffold Graph Node Level | C1CCOCC1 |
| Classyfire Subclass | Fatty acyl glycosides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 430.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 9.0 |
| Iupac Name | (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexoxy]oxane-2-carboxylic acid |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | -4.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H20O12 |
| Scaffold Graph Node Bond Level | C1CCOCC1 |
| Inchi Key | NBTUEARNKVTGKY-VDQQCXGFSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 8.0 |
| Synonyms | 4-aldobiouronic-acid, aldobiouronic acid, aldobiouronic-acid, aldobiuronic acid, aldobiuronic-acid, alsobiuronic-acid |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CC=O, CO, CO[C@@H](C)OC |
| Compound Name | 6-O-beta-D-Glucopyranuronosyl-D-galactose |
| Exact Mass | 356.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 356.095 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 356.28 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C12H20O12/c13-1-3(14)5(16)6(17)4(15)2-23-12-9(20)7(18)8(19)10(24-12)11(21)22/h1,3-10,12,14-20H,2H2,(H,21,22)/t3-,4+,5+,6-,7-,8-,9+,10-,12+/m0/s1 |
| Smiles | C([C@H]([C@@H]([C@@H]([C@H](C=O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Saccharides |
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