Sauriol B
PubChem CID: 15965508
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| Compound Synonyms | Sauriol B, 5-[(2R,3R)-4-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dimethylbutyl]-3-methoxybenzene-1,2-diol, 5-((2R,3R)-4-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dimethylbutyl)-3-methoxybenzene-1,2-diol, 289497-20-7 |
|---|---|
| Topological Polar Surface Area | 88.4 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 419.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 5-[(2R,3R)-4-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dimethylbutyl]-3-methoxybenzene-1,2-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C21H28O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OAHJZEWASFRGKJ-CHWSQXEVSA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -4.662 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.751 |
| Compound Name | Sauriol B |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 376.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 376.189 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 376.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.85397268888889 |
| Inchi | InChI=1S/C21H28O6/c1-12(6-14-8-16(22)20(23)17(9-14)25-3)13(2)7-15-10-18(26-4)21(24)19(11-15)27-5/h8-13,22-24H,6-7H2,1-5H3/t12-,13-/m1/s1 |
| Smiles | C[C@H](CC1=CC(=C(C(=C1)OC)O)O)[C@H](C)CC2=CC(=C(C(=C2)OC)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Saururus Cernuus (Plant) Rel Props:Source_db:cmaup_ingredients