1-[4-Hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl]-3-[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]propane-1,2-diol
PubChem CID: 5319207
Connections displayed (default: 10).
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| Topological Polar Surface Area | 110.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 42.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 847.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl]-3-[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]propane-1,2-diol |
| Prediction Hob | 0.0 |
| Xlogp | 7.5 |
| Molecular Formula | C36H36O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FVWZTCBBMRXVFJ-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -2.422 |
| Rotatable Bond Count | 13.0 |
| Logd | 4.21 |
| Compound Name | 1-[4-Hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl]-3-[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]propane-1,2-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 564.251 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 564.251 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 564.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.643460742857145 |
| Inchi | InChI=1S/C36H36O6/c1-4-7-23-10-14-31(37)27(18-23)29-21-26(13-16-33(29)39)36(41)34(40)22-42-35-17-12-25(9-6-3)20-30(35)28-19-24(8-5-2)11-15-32(28)38/h4-6,10-21,34,36-41H,1-3,7-9,22H2 |
| Smiles | C=CCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CC=C)OCC(C(C3=CC(=C(C=C3)O)C4=C(C=CC(=C4)CC=C)O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Magnolia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients