Glc(b1-6)Glc(b1-4)Glc
PubChem CID: 10973188
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| Compound Synonyms | Glc(b1-6)Glc(b1-4)Glc, CHEBI:148000, G58472YY, beta-D-Glcp-(1->6)-beta-D-Glcp-(1->4)-D-Glcp, beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->4)-D-glucopyranose, beta-d-glucopyranosyl-(1-6)-beta-d-glucopyranosyl-(1-4)-d-glucopyranose, beta-D-gluco-hexopyranosyl-(1->6)-beta-D-gluco-hexopyranosyl-(1->4)-D-gluco-hexopyranose, WURCS=2.0/2,3,2/[a2122h-1x_1-5][a2122h-1b_1-5]/1-2-2/a4-b1_b6-c1, (2R,3S,4S,5R,6R)-2-(Hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol |
|---|---|
| Topological Polar Surface Area | 269.0 |
| Hydrogen Bond Donor Count | 11.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 641.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 14.0 |
| Iupac Name | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Xlogp | -6.9 |
| Molecular Formula | C18H32O16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OWEGMIWEEQEYGQ-FJHBCLNTSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.239 |
| Rotatable Bond Count | 7.0 |
| Logd | -3.768 |
| Compound Name | Glc(b1-6)Glc(b1-4)Glc |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 504.169 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 504.169 |
| Hydrogen Bond Acceptor Count | 16.0 |
| Molecular Weight | 504.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 15.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.828884399999999 |
| Inchi | InChI=1S/C18H32O16/c19-1-4-7(21)9(23)13(27)17(32-4)30-3-6-8(22)10(24)14(28)18(33-6)34-15-5(2-20)31-16(29)12(26)11(15)25/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9+,10+,11-,12-,13-,14-,15-,16?,17-,18+/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[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)O)O)O)O)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Quinquefolius (Plant) Rel Props:Source_db:cmaup_ingredients