Xyl(b1-6)Glc(b)-O-iPr
PubChem CID: 118711818
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| Compound Synonyms | CHEMBL3326715 |
|---|---|
| Topological Polar Surface Area | 158.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 394.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 9.0 |
| Iupac Name | (2R,3R,4S,5S,6R)-2-propan-2-yloxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Xlogp | -3.3 |
| Molecular Formula | C14H26O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BPIRJCXWOHGVJV-HCDYWNEASA-N |
| Fcsp3 | 1.0 |
| Logs | -0.634 |
| Rotatable Bond Count | 5.0 |
| Logd | -1.845 |
| Compound Name | Xyl(b1-6)Glc(b)-O-iPr |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 354.153 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 354.153 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 354.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.3909176000000007 |
| Inchi | InChI=1S/C14H26O10/c1-5(2)23-14-12(20)10(18)9(17)7(24-14)4-22-13-11(19)8(16)6(15)3-21-13/h5-20H,3-4H2,1-2H3/t6-,7-,8+,9-,10+,11-,12-,13+,14-/m1/s1 |
| Smiles | CC(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Retrofractum (Plant) Rel Props:Source_db:cmaup_ingredients