1,1',3,3'-Tetrahydroxyturriane
PubChem CID: 44419740
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| Compound Synonyms | CHEMBL374437, 1,1',3,3'-tetrahydroxyturriane |
|---|---|
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 458.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tricyclo[20.2.2.02,7]hexacosa-1(24),2(7),3,5,22,25-hexaene-3,5,24,25-tetrol |
| Prediction Hob | 0.0 |
| Xlogp | 8.9 |
| Molecular Formula | C26H36O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HKKBXNLYXSFUFL-UHFFFAOYSA-N |
| Fcsp3 | 0.5384615384615384 |
| Logs | -3.358 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.7 |
| Compound Name | 1,1',3,3'-Tetrahydroxyturriane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 412.261 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 412.261 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 412.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.313534 |
| Inchi | InChI=1S/C26H36O4/c27-21-17-20-14-12-10-8-6-4-2-1-3-5-7-9-11-13-19-15-22(28)26(23(29)16-19)25(20)24(30)18-21/h15-18,27-30H,1-14H2 |
| Smiles | C1CCCCCCCC2=C(C(=CC(=C2)O)O)C3=C(C=C(CCCCCC1)C=C3O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Grevillea Robusta (Plant) Rel Props:Source_db:cmaup_ingredients