D-(+)-Cellobiose
PubChem CID: 439178
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| Compound Synonyms | cellobiose, D-Cellobiose, D-(+)-Cellobiose, Cellose, 4-O-beta-D-glucopyranosyl-D-glucopyranose, 1-beta-D-Glucopyranosyl-4-D-glucopyranose, D-Glucosyl-beta-(1-4)-D-glucose, 528-50-7, 4-O-beta-D-Glucopyranosyl-D-glucose, 4-beta-D-glucopyranosyl-D-glucopyranose, 16462-44-5, D-celiobiose, 28072-80-2, BETA-D-GLUCOPYRANOSYL(1-4)-D-GLUCOPYRANOSE, CHEBI:17057, DTXSID001015527, (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol, 4-o-(beta-d-glucopyranosyl)-d-glucopyranose, D-(+)-Cellose, beta-D-glucopyranosyl-(1->4)-D-glucopyranose, bmse000138, bmse000889, bmse000939, SCHEMBL233414, GUBGYTABKSRVRQ-CUHNMECISA-N, beta-D-glucosyl-(1->4)-D-glucose, DB02061, 4-O-beta-D-glucopyranosyl--D-glucopyranose, C00185, G91387, Q409017, (3R,4R,5S,6R)-6-(hydroxymethyl)-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)tetrahydro-2H-pyran-2,3,4-triol |
|---|---|
| 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;pubchem |
| Defined Atom Stereocenter Count | 9.0 |
| Iupac Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Xlogp | -4.7 |
| Molecular Formula | C12H22O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GUBGYTABKSRVRQ-CUHNMECISA-N |
| Fcsp3 | 1.0 |
| Logs | -0.147 |
| Rotatable Bond Count | 4.0 |
| Logd | -3.074 |
| Compound Name | D-(+)-Cellobiose |
| 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 |
| Esol | 0.5508586 |
| Inchi | InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11?,12+/m1/s1 |
| Smiles | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2O)O)O)CO)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Rubia Akane (Plant) Rel Props:Source_db:cmaup_ingredients