L-Glc(b1-6)Glc(b)-O-Bn
PubChem CID: 163022164
Connections displayed (default: 10).
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| Topological Polar Surface Area | 179.0 |
|---|---|
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 517.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 10.0 |
| Iupac Name | (2S,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Xlogp | -2.8 |
| Molecular Formula | C19H28O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LLEMMFPELBNINR-LVNMIFGJSA-N |
| Fcsp3 | 0.6842105263157895 |
| Logs | -1.303 |
| Rotatable Bond Count | 7.0 |
| Logd | -1.455 |
| Compound Name | L-Glc(b1-6)Glc(b)-O-Bn |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 432.163 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 432.163 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 432.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.41151640000000067 |
| Inchi | InChI=1S/C19H28O11/c20-6-10-12(21)14(23)16(25)19(29-10)28-8-11-13(22)15(24)17(26)18(30-11)27-7-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11+,12-,13+,14+,15-,16-,17+,18+,19-/m0/s1 |
| Smiles | C1=CC=C(C=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)O)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Prunus Persica (Plant) Rel Props:Source_db:cmaup_ingredients