Salirepin
PubChem CID: 16681676
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| Compound Synonyms | salirepin, 26652-12-0, (2S,3R,4S,5S,6R)-2-[4-hydroxy-2-(hydroxymethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, (2S,3R,4S,5S,6R)-2-(4-hydroxy-2-(hydroxymethyl)phenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol, CHEMBL468146, CHEBI:139241, HY-N1317, AKOS032962326, FS-9690, DA-67385, CS-0016721 |
|---|---|
| Topological Polar Surface Area | 140.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 327.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Uniprot Id | P35354 |
| Iupac Name | (2S,3R,4S,5S,6R)-2-[4-hydroxy-2-(hydroxymethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Xlogp | -1.6 |
| Molecular Formula | C13H18O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NPNFZOGKIFFKGT-UJPOAAIJSA-N |
| Fcsp3 | 0.5384615384615384 |
| Logs | -0.618 |
| Rotatable Bond Count | 4.0 |
| Logd | -0.766 |
| Compound Name | Salirepin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 302.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.1 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 302.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.6661583714285714 |
| Inchi | InChI=1S/C13H18O8/c14-4-6-3-7(16)1-2-8(6)20-13-12(19)11(18)10(17)9(5-15)21-13/h1-3,9-19H,4-5H2/t9-,10-,11+,12-,13-/m1/s1 |
| Smiles | C1=CC(=C(C=C1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Idesia Polycarpa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all