6-O-B-D-Galactopyranosyl-D-galactose
PubChem CID: 21123015
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| Compound Synonyms | 6-O-B-D-GALACTOPYRANOSYL-D-GALACTOSE, 8MVM4THT2K, 6-O-, A-D-Galactopyranosyl-D-galactose, beta-(1-->6)-Galactobiose, SCHEMBL5522862, beta-D-Galp-(1-->6)-D-Gal, HY-N9439, Galactose, 6-O-beta-D-galactosyl-, AKOS040758167, D-Galactose, 6-O-beta-D-galactosyl-, 6-O-??-D-Galactopyranosyl-D-galactose, Galactose, 6-O-beta-D-galactopyranosyl-, PD171942, DB-253569, CS-0169589, Galactose, 6-O-beta-D-galactopyranosyl-, D-, (2R,3S,4S,5R)-2,3,4,5-Tetrahydroxy-6-(((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexanal |
|---|---|
| Topological Polar Surface Area | 197.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 367.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 9.0 |
| Iupac Name | (2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal |
| Prediction Hob | 0.0 |
| Xlogp | -5.0 |
| Molecular Formula | C12H22O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AYRXSINWFIIFAE-CABDRJSWSA-N |
| Fcsp3 | 0.9166666666666666 |
| Logs | 0.369 |
| Rotatable Bond Count | 8.0 |
| Logd | -3.014 |
| Compound Name | 6-O-B-D-Galactopyranosyl-D-galactose |
| 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 | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 2.1063586 |
| Inchi | InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h1,4-12,14-21H,2-3H2/t4-,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]([C@@H]([C@@H]([C@H](C=O)O)O)O)O)O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Larix Laricina (Plant) Rel Props:Source_db:cmaup_ingredients