octyl 6-O-alpha-l-arabinopyranosyl-beta-d-glucopyranoside
PubChem CID: 10251759
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| Compound Synonyms | octyl 6-O-alpha-l-arabinopyranosyl-beta-d-glucopyranoside |
|---|---|
| Topological Polar Surface Area | 158.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 453.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 9.0 |
| Iupac Name | (2R,3R,4S,5S,6R)-2-octoxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Xlogp | -0.7 |
| Molecular Formula | C19H36O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IBSNNVHJJNLMJW-UUOPEYFDSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.863 |
| Rotatable Bond Count | 11.0 |
| Logd | 0.666 |
| Compound Name | octyl 6-O-alpha-l-arabinopyranosyl-beta-d-glucopyranoside |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 424.231 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 424.231 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 424.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.355219400000001 |
| Inchi | InChI=1S/C19H36O10/c1-2-3-4-5-6-7-8-26-19-17(25)15(23)14(22)12(29-19)10-28-18-16(24)13(21)11(20)9-27-18/h11-25H,2-10H2,1H3/t11-,12+,13-,14+,15-,16+,17+,18-,19+/m0/s1 |
| Smiles | CCCCCCCCO[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 Rhodiola Atuntsuensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Rhodiola Sacra (Plant) Rel Props:Source_db:cmaup_ingredients