Arabinogalactan
PubChem CID: 24847856
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| Compound Synonyms | 9036-66-2, Galactoarabinan, ARABINOGALACTAN, (+)-Arabinogalactan, (+)-Arabinogalactan from Larch Wood,, (+)-Arabinogalactan from Larch Wood, 4-[6-[(3,5-dihydroxy-4-methoxyoxan-2-yl)oxymethyl]-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxane-3,5-diol, D-Galacto-L-arabinan, Larch arabinogalactan, DTXSID90864173, YL29121, E80438, 3-O-Methylpentopyranosyl-(1->6)-3-O-methylhexopyranosyl-(1->4)-2,6-anhydro-1-deoxyheptitol |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 206.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCC(CCC2CCCC(CC3CCCCC3)C2)CC1 |
| Np Classifier Class | Polysaccharides |
| Deep Smiles | COCCO)CCOCOCCCC6O))OC)))O)))))))OCC6O))OCCO)CC)OCC6O))CO |
| Heavy Atom Count | 34.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCC(OCC2CCCC(OC3CCOCC3)O2)OC1 |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 626.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[6-[(3,5-dihydroxy-4-methoxyoxan-2-yl)oxymethyl]-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxane-3,5-diol |
| Prediction Hob | 0.0 |
| Class | Organooxygen compounds |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -4.2 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H36O14 |
| Scaffold Graph Node Bond Level | C1CCC(OCC2CCCC(OC3CCOCC3)O2)OC1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SATHPVQTSSUFFW-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -0.036 |
| Rotatable Bond Count | 8.0 |
| Logd | -2.035 |
| Synonyms | Arabinogalactan, arabino-galactan, arabinogalactam, arabinogalactan |
| Esol Class | Highly soluble |
| Functional Groups | CO, COC, COC(C)OC |
| Compound Name | Arabinogalactan |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 500.211 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 500.211 |
| Hydrogen Bond Acceptor Count | 14.0 |
| Molecular Weight | 500.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 14.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | False |
| Esol | 0.2498371999999991 |
| Inchi | InChI=1S/C20H36O14/c1-7-11(23)18(12(24)9(4-21)32-7)34-20-15(27)17(29-3)13(25)10(33-20)6-31-19-14(26)16(28-2)8(22)5-30-19/h7-27H,4-6H2,1-3H3 |
| Smiles | CC1C(C(C(C(O1)CO)O)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)OC)O)O)OC)O)O |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Oligosaccharides |
| Np Classifier Superclass | Saccharides |
- 1. Outgoing r'ship
FOUND_INto/from Apium Graveolens (Plant) Rel Props:Reference:ISBN:9788172362089 - 2. Outgoing r'ship
FOUND_INto/from Astragalus Gummifer (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Azadirachta Indica (Plant) Rel Props:Reference:ISBN:9788172362089 - 4. Outgoing r'ship
FOUND_INto/from Brassica Rapa (Plant) Rel Props:Reference:ISBN:9788171360536 - 5. Outgoing r'ship
FOUND_INto/from Chrysanthemum Morifolium (Plant) Rel Props:Source_db:npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Coccinia Grandis (Plant) Rel Props:Reference:ISBN:9788172361792 - 7. Outgoing r'ship
FOUND_INto/from Dillenia Indica (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788172360481 - 8. Outgoing r'ship
FOUND_INto/from Opuntia Dillenii (Plant) Rel Props:Reference:ISBN:9788172363130 - 9. Outgoing r'ship
FOUND_INto/from Platycodon Grandiflorus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Trapa Natans (Plant) Rel Props:Reference:ISBN:9788185042114 - 11. Outgoing r'ship
FOUND_INto/from Vallisneria Spiralis (Plant) Rel Props:Reference:ISBN:9788172362140 - 12. Outgoing r'ship
FOUND_INto/from Vigna Mungo (Plant) Rel Props:Reference:ISBN:9788171360536 - 13. Outgoing r'ship
FOUND_INto/from Vigna Radiata (Plant) Rel Props:Reference:ISBN:9788185042114