8-Hydroxysyringaresinol
PubChem CID: 145709470
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| Compound Synonyms | 8-Hydroxysyringaresinol, 89199-95-1 |
|---|---|
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 578.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (3R,3aS,6S,6aR)-3,6-bis(4-hydroxy-3,5-dimethoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C22H26O9 |
| Prediction Swissadme | 1.0 |
| Inchi Key | NUUIAGCSVIKGMC-FHIZRCNDSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -3.608 |
| Rotatable Bond Count | 6.0 |
| Logd | 1.834 |
| Compound Name | 8-Hydroxysyringaresinol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 434.158 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 434.158 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 434.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1610858129032278 |
| Inchi | InChI=1S/C22H26O9/c1-26-14-5-11(6-15(27-2)18(14)23)20-13-9-30-21(22(13,25)10-31-20)12-7-16(28-3)19(24)17(8-12)29-4/h5-8,13,20-21,23-25H,9-10H2,1-4H3/t13-,20-,21-,22-/m1/s1 |
| Smiles | COC1=CC(=CC(=C1O)OC)[C@@H]2[C@H]3CO[C@@H]([C@]3(CO2)O)C4=CC(=C(C(=C4)OC)O)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hemerocallis Citrina (Plant) Rel Props:Source_db:cmaup_ingredients