2,6,8-Trihydroxy-1-(3-hydroxy-3-methylbutyl)xanthen-9-one
PubChem CID: 21576569
Connections displayed (default: 10).
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| Topological Polar Surface Area | 107.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 478.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6,8-trihydroxy-1-(3-hydroxy-3-methylbutyl)xanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C18H18O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HBLDDRXQYPHQQU-UHFFFAOYSA-N |
| Fcsp3 | 0.2777777777777778 |
| Logs | -3.471 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.388 |
| Compound Name | 2,6,8-Trihydroxy-1-(3-hydroxy-3-methylbutyl)xanthen-9-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 330.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 330.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.351949866666668 |
| Inchi | InChI=1S/C18H18O6/c1-18(2,23)6-5-10-11(20)3-4-13-15(10)17(22)16-12(21)7-9(19)8-14(16)24-13/h3-4,7-8,19-21,23H,5-6H2,1-2H3 |
| Smiles | CC(C)(CCC1=C(C=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Nigrolineata (Plant) Rel Props:Source_db:cmaup_ingredients