2-(alpha-D-galactosyl)glycerol
PubChem CID: 9816473
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| Compound Synonyms | 534-68-9, 2-(alpha-D-galactosyl)glycerol, Floridoside, 2-O-(alpha-D-galactopyranosyl)glycerol, Floridosid, (2S,3R,4S,5R,6R)-2-(1,3-dihydroxypropan-2-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol, 2-(?-D-galactosyl)glycerol, 2-glyceryl alpha-D-galactoside, SCHEMBL5545675, CHEBI:111508, 2-O-(alpha-D-galactosyl)glycerol, (2S,3R,4S,5R,6R)-2-((1,3-Dihydroxypropan-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, 2-glyceryl alpha-D-galactopyranoside, alpha-d-galactopyranosyl-(1-2)-glycerol, XF175864, 1,3-dihydroxypropan-2-yl alpha-D-galactopyranoside, Q27191225 |
|---|---|
| Topological Polar Surface Area | 140.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 221.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2S,3R,4S,5R,6R)-2-(1,3-dihydroxypropan-2-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Xlogp | -3.5 |
| Molecular Formula | C9H18O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AQTKXCPRNZDOJU-NXRLNHOXSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.804 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.281 |
| Compound Name | 2-(alpha-D-galactosyl)glycerol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 254.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.1 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 254.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.4022430000000006 |
| Inchi | InChI=1S/C9H18O8/c10-1-4(2-11)16-9-8(15)7(14)6(13)5(3-12)17-9/h4-15H,1-3H2/t5-,6+,7+,8-,9+/m1/s1 |
| Smiles | C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC(CO)CO)O)O)O)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Source_db:cmaup_ingredients