8-Hydroxy-1,2,3,6-tetramethoxyxanthen-9-one
PubChem CID: 101304461
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 83.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 456.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-hydroxy-1,2,3,6-tetramethoxyxanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C17H16O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BMVHDGLPVCVVQR-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.213 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.617 |
| Compound Name | 8-Hydroxy-1,2,3,6-tetramethoxyxanthen-9-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 332.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 332.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 332.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.329676266666666 |
| Inchi | InChI=1S/C17H16O7/c1-20-8-5-9(18)13-10(6-8)24-11-7-12(21-2)16(22-3)17(23-4)14(11)15(13)19/h5-7,18H,1-4H3 |
| Smiles | COC1=CC(=C2C(=C1)OC3=CC(=C(C(=C3C2=O)OC)OC)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Calophyllum Teysmannii (Plant) Rel Props:Source_db:cmaup_ingredients