Chrysosplenol G
PubChem CID: 5315858
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| Compound Synonyms | Chrysosplenol G, 130252-52-7, DTXSID30156423, 5-hydroxy-2-(5-hydroxy-2,4-dimethoxyphenyl)-3,7-dimethoxychromen-4-one, CHEMBL483030, DTXCID4078914, LMPK12112526 |
|---|---|
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 576.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-2-(5-hydroxy-2,4-dimethoxyphenyl)-3,7-dimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C19H18O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DCBXANRVINYQLF-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -4.021 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.676 |
| Compound Name | Chrysosplenol G |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 374.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 374.1 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 374.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8696575185185194 |
| Inchi | InChI=1S/C19H18O8/c1-23-9-5-12(21)16-15(6-9)27-18(19(26-4)17(16)22)10-7-11(20)14(25-3)8-13(10)24-2/h5-8,20-21H,1-4H3 |
| Smiles | COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3OC)OC)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chrysosplenium Grayanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all