11,14-Dihydroxy-7,7,20,20-tetramethyl-2,6,21,25-tetraoxahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-3(12),4,8,10,15(24),16,18,22-octaen-13-one
PubChem CID: 5318852
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 94.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 878.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 11,14-dihydroxy-7,7,20,20-tetramethyl-2,6,21,25-tetraoxahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-3(12),4,8,10,15(24),16,18,22-octaen-13-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C25H22O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HMLFQVDHVQECID-UHFFFAOYSA-N |
| Fcsp3 | 0.32 |
| Logs | -3.448 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.492 |
| Compound Name | 11,14-Dihydroxy-7,7,20,20-tetramethyl-2,6,21,25-tetraoxahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-3(12),4,8,10,15(24),16,18,22-octaen-13-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 434.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 434.137 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 434.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.4948528 |
| Inchi | InChI=1S/C25H22O7/c1-23(2)7-5-12-9-14-17(10-15(12)31-23)29-22-25(14,28)21(27)19-18(30-22)11-16-13(20(19)26)6-8-24(3,4)32-16/h5-11,22,26,28H,1-4H3 |
| Smiles | CC1(C=CC2=CC3=C(C=C2O1)OC4C3(C(=O)C5=C(O4)C=C6C(=C5O)C=CC(O6)(C)C)O)C |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eriosema Kraussianum (Plant) Rel Props:Source_db:cmaup_ingredients