2-[1-(3,5-Dimethoxyphenyl)-2-hydroxy-2-phenylethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID: 15939543
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-[1-(3,5-Dimethoxyphenyl)-2-hydroxy-2-phenylethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 138.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | CCGODXURPZCVAL-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Rotatable Bond Count | 8.0 |
| Heavy Atom Count | 31.0 |
| Compound Name | 2-[1-(3,5-Dimethoxyphenyl)-2-hydroxy-2-phenylethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 436.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 436.173 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 517.0 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 436.5 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[1-(3,5-dimethoxyphenyl)-2-hydroxy-2-phenylethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -2.4682850129032268 |
| Inchi | InChI=1S/C22H28O9/c1-28-14-8-13(9-15(10-14)29-2)21(17(24)12-6-4-3-5-7-12)31-22-20(27)19(26)18(25)16(11-23)30-22/h3-10,16-27H,11H2,1-2H3 |
| Smiles | COC1=CC(=CC(=C1)C(C(C2=CC=CC=C2)O)OC3C(C(C(C(O3)CO)O)O)O)OC |
| Xlogp | 0.3 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C22H28O9 |
- 1. Outgoing r'ship
FOUND_INto/from Stemona Tuberosa (Plant) Rel Props:Source_db:cmaup_ingredients