beta-Gentiobiose
PubChem CID: 441422
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| Compound Synonyms | 5996-00-9, 6-O-beta-D-glucopyranosyl-D-glucopyranose, beta-Gentiobiose, N2VA1H3TIQ, (2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol, 6-O-b-D-Glucopyranosyl-b-D-glucopyranose, CHEBI:71422, beta-D-Glcp-(1->6)-beta-D-Glcp, Gentiobiose, beta-, Gentiobiose, .beta.-, UNII-N2VA1H3TIQ, Gentiobiose beta-form [MI], beta -Gentiobiose, Glcbeta1-6Glcbeta, Glcb1-6Glcb, I(2)-Gentiobiose, 6-o-beta-D-Glucopyranosyl-beta-D-glucose, beta-D-Glucose, 6-o-beta-D-glucopyranosyl-, SCHEMBL109658, beta-gentiobiose (closed ring), CHEMBL1360334, GTPL12452, DTXSID501317544, beta-D-Glc-(1->6)-beta-D-Glc, AKOS016010483, GENTIOBIOSE .BETA.-FORM [MI], NCGC00142607-01, (4S,5S,2R,3R,6R)-6-{[(4S,5S,2R,3R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)(2H-3, 4,5,6-tetrahydropyran-2-yloxy)]methyl}-2H-3,4,5,6-tetrahydropyran-2,3,4,5-tetr aol, beta-D-glucosyl-(1->6)-beta-D-glucose, NS00074078, 6-O-beta-D-glucopyranosyl-beta-D-glucopyranose, 6-O-beta-D-Glucopyranosyl-D-glucose Amygdalose, C08240, D90708, beta-D-glucopyranose-(1->6)-beta-D-glucopyranose, Q415583, 6- O-(beta-D-Glucopyranosyl)-beta-D-Glucopyranose, beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranose, 6-O-.BETA.-D-GLUCOPYRANOSYL-.BETA.-D-GLUCOSE, .BETA.-D-GLUCOSE, 6-O-.BETA.-D-GLUCOPYRANOSYL-, (2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol, (2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 10.0 |
| Uniprot Id | Q03164 |
| Iupac Name | (2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol |
| Prediction Hob | 0.0 |
| Xlogp | -4.7 |
| Molecular Formula | C12H22O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DLRVVLDZNNYCBX-LIZSDCNHSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.163 |
| Rotatable Bond Count | 4.0 |
| Logd | -3.151 |
| Compound Name | beta-Gentiobiose |
| 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 | 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/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)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O)O)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rubia Akane (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all