Sakakin
PubChem CID: 12315190
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Sakakin, 21082-33-7, Orcinol glucoside, 2-(hydroxymethyl)-6-(3-hydroxy-5-methylphenoxy)oxane-3,4,5-triol, SCHEMBL13244496, HMS3336J17, AKOS032948493, 2-(3-HYDROXY-5-METHYLPHENOXY)-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL |
|---|---|
| Topological Polar Surface Area | 120.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 313.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(hydroxymethyl)-6-(3-hydroxy-5-methylphenoxy)oxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Xlogp | -0.5 |
| Molecular Formula | C13H18O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YTXIGTCAQNODGD-UHFFFAOYSA-N |
| Fcsp3 | 0.5384615384615384 |
| Logs | -1.076 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.747 |
| Compound Name | Sakakin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.105 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 286.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.349136 |
| Inchi | InChI=1S/C13H18O7/c1-6-2-7(15)4-8(3-6)19-13-12(18)11(17)10(16)9(5-14)20-13/h2-4,9-18H,5H2,1H3 |
| Smiles | CC1=CC(=CC(=C1)OC2C(C(C(C(O2)CO)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curculigo Orchioides (Plant) Rel Props:Source_db:cmaup_ingredients