(Z)-1-(2,4,6-trihydroxyphenyl)triacont-24-en-1-one
PubChem CID: 11664067
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| Topological Polar Surface Area | 77.8 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 40.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 577.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-1-(2,4,6-trihydroxyphenyl)triacont-24-en-1-one |
| Prediction Hob | 0.0 |
| Xlogp | 15.1 |
| Molecular Formula | C36H62O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZZAYAFZFYJHIKV-SREVYHEPSA-N |
| Fcsp3 | 0.75 |
| Logs | -0.782 |
| Rotatable Bond Count | 28.0 |
| Logd | 5.627 |
| Compound Name | (Z)-1-(2,4,6-trihydroxyphenyl)triacont-24-en-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 558.465 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 558.465 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 558.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -11.062205600000004 |
| Inchi | InChI=1S/C36H62O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-33(38)36-34(39)30-32(37)31-35(36)40/h6-7,30-31,37,39-40H,2-5,8-29H2,1H3/b7-6- |
| Smiles | CCCCC/C=C\CCCCCCCCCCCCCCCCCCCCCCC(=O)C1=C(C=C(C=C1O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Polygala Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients