6-O-(alpha-L-Rhamnopyranosyl)-D-glucopyranose
PubChem CID: 12314995
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| Compound Synonyms | Mabioside, (Glc)1 (LRha)1, alpha-L-Rha-(1->6)-D-Glc, alpha-L-Rhap-(1->6)-D-Glcp, alpha-L-rhamnosyl-(1->6)-D-glucose, CHEBI:61606, 6-O-(alpha-L-Rhamnopyranosyl)-D-glucopyranose, 6-O-(6-deoxy-alpha-L-mannopyranosyl)-D-glucopyranose, 6-deoxy-alpha-L-mannopyranosyl-(1->6)-D-glucopyranose, alpha-L-rhamnopyranosyl-(1->6)-D-glucopyranose, Epitope ID:144144, SCHEMBL15956048, 6-O-alpha-l-rhamnopyranosyl-d-glucopyranose, R0062, Q27131199, (3R,4S,5S,6R)-6-((((2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2,3,4,5-tetraol, 59246-67-2 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 169.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCC(CCC2CCCCC2)CC1 |
| Np Classifier Class | Disaccharides |
| Deep Smiles | C[C@@H]O[C@@H]OC[C@H]OCO)[C@@H][C@H][C@@H]6O))O))O)))))))[C@@H][C@@H][C@H]6O))O))O |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCC(COC2CCCCO2)OC1 |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 368.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 9.0 |
| Iupac Name | (3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -4.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H22O10 |
| Scaffold Graph Node Bond Level | C1CCC(COC2CCCCO2)OC1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OVVGHDNPYGTYIT-ROUHPGRKSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -0.286 |
| Rotatable Bond Count | 3.0 |
| Logd | -2.684 |
| Synonyms | rutinoside |
| Esol Class | Highly soluble |
| Functional Groups | CO, COC(C)O, CO[C@@H](C)OC |
| Compound Name | 6-O-(alpha-L-Rhamnopyranosyl)-D-glucopyranose |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 326.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.121 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 326.3 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | 0.9998524 |
| Inchi | InChI=1S/C12H22O10/c1-3-5(13)7(15)10(18)12(21-3)20-2-4-6(14)8(16)9(17)11(19)22-4/h3-19H,2H2,1H3/t3-,4+,5-,6+,7+,8-,9+,10+,11?,12+/m0/s1 |
| Smiles | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)O)O)O)O)O)O |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Saccharides |
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