6-[[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
PubChem CID: 872
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| Compound Synonyms | ISOMALTOSE, allolactose, 499-40-1, melibiose, 28447-39-4, beta-D-Man-(1-->6)-D-Man, Brachiose, 6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol, 71184-87-7, 6-O-(b-D-Galactopyranosyl)-D-glucopyranose, Gal(?1-6)Glc, 6-O-alpha-D-Glucopyranosyl-D-glucose, D-Isomaltose, 6-O-, A-D-Mannopyranosyl-D-mannose, MFCD15145331, 6-O-beta-D-Galactopyranosyl-D-galactose, b1-6-Galactobiose, CID 71306906, 6-O-(B-D-GALACTOPYRANOSYL)-D-GALACTOPYRANOSE, 585-99-9, SCHEMBL12253360, SCHEMBL19730599, CHEBI:181906, HMS3373E12, 6614-35-3, 6-O-, A-D-Glucopyranosyl-D-glucose, AKOS015919194, OG09259, YP29207, 6-O-b-D-Galactopyranosyl-D-glucopyranose, 6-O- beta -D-Galactopyranosyl-D-galactose, DB-051703, DB-229471, 1D697D93-8452-4616-A296-7EBB56A316A0, 2,3,4,5-Tetrahydroxy-6-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-hexanal |
|---|---|
| Topological Polar Surface Area | 190.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 382.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol |
| Prediction Hob | 0.0 |
| Class | Organooxygen compounds |
| Xlogp | -4.7 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Molecular Formula | C12H22O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DLRVVLDZNNYCBX-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.083 |
| Rotatable Bond Count | 4.0 |
| Logd | -2.575 |
| Synonyms | 6-O-a-D-Galactopyranosyl-D-galactopyranose, 6-O-Α-D-galactopyranosyl-D-galactopyranose |
| Compound Name | 6-[[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 342.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.116 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 342.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Esol | 1.6596586 |
| Inchi | InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2 |
| Smiles | C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | O-glycosyl compounds |
- 1. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Rehmannia Glutinosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all