Vicianose
PubChem CID: 439537
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| Compound Synonyms | Vicianose, 14116-69-9, 6-O-alpha-L-arabinopyranosyl-D-glucopyranose, CHEBI:16177, DTXSID40331421, O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose, alpha-L-arabinopyranosyl-(1->-6)-beta-D-glucopyranose, O-alpha-L-Arabinopyranosyl-(1-6)-beta-D-glucopyranose, WURCS=2.0/2,2,1/(a2122h-1x_1-5)(a211h-1a_1-5)/1-2/a6-b1, WURCS=2.0/2,2,1/[a2122h-1x_1-5][a211h-1a_1-5]/1-2/a6-b1, C01625, SCHEMBL207105, DTXCID90282515, Q18358922 |
|---|---|
| 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 | O[C@H]CO[C@H][C@@H][C@H]6O))O))OC[C@H]OCO)[C@@H][C@H][C@@H]6O))O))O |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCC(COC2CCCCO2)OC1 |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 341.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 8.0 |
| Iupac Name | (3R,4S,5S,6R)-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -4.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H20O10 |
| Scaffold Graph Node Bond Level | C1CCC(COC2CCCCO2)OC1 |
| Inchi Key | QYNRIDLOTGRNML-ULAALWPKSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | vicianose |
| Esol Class | Highly soluble |
| Functional Groups | CO, COC(C)O, CO[C@@H](C)OC |
| Compound Name | Vicianose |
| Exact Mass | 312.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.106 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 312.27 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H20O10/c12-3-1-19-11(9(17)5(3)13)20-2-4-6(14)7(15)8(16)10(18)21-4/h3-18H,1-2H2/t3-,4+,5-,6+,7-,8+,9+,10?,11-/m0/s1 |
| Smiles | C1[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 |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Saccharides |
- 1. Outgoing r'ship
FOUND_INto/from Geum Urbanum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/5083254