Eschweilenol A
PubChem CID: 10410181
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| Compound Synonyms | ESCHWEILENOL A, 6,7,14-trihydroxy-13-(2,3,4-trihydroxyphenoxy)-2,9-dioxatetracyclo(6.6.2.04,16.011,15)hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione, 6,7,14-trihydroxy-13-(2,3,4-trihydroxyphenoxy)-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione, CHEMBL472022, 200215-95-8 |
|---|---|
| Topological Polar Surface Area | 183.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 745.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,7,14-trihydroxy-13-(2,3,4-trihydroxyphenoxy)-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione |
| Prediction Hob | 0.0 |
| Xlogp | 1.9 |
| Molecular Formula | C20H10O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LGMNKSBINQXDAI-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -5.388 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.665 |
| Compound Name | Eschweilenol A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 426.022 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 426.022 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 426.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.503253090322582 |
| Inchi | InChI=1S/C20H10O11/c21-7-1-2-9(15(25)13(7)23)29-10-4-6-12-11-5(19(27)31-18(12)16(10)26)3-8(22)14(24)17(11)30-20(6)28/h1-4,21-26H |
| Smiles | C1=CC(=C(C(=C1O)O)O)OC2=C(C3=C4C(=C2)C(=O)OC5=C4C(=CC(=C5O)O)C(=O)O3)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eschweilera Coriacea (Plant) Rel Props:Source_db:cmaup_ingredients