2-(Ethoxymethyl)-1,3,5-trihydroxy-6-methoxyanthracene-9,10-dione
PubChem CID: 91156689
Connections displayed (default: 10).
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| Topological Polar Surface Area | 113.0 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 522.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(ethoxymethyl)-1,3,5-trihydroxy-6-methoxyanthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C18H16O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XTXAOKFDPSACFJ-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -3.504 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.778 |
| Compound Name | 2-(Ethoxymethyl)-1,3,5-trihydroxy-6-methoxyanthracene-9,10-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 344.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 344.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 344.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8866778 |
| Inchi | InChI=1S/C18H16O7/c1-3-25-7-10-11(19)6-9-14(17(10)22)15(20)8-4-5-12(24-2)18(23)13(8)16(9)21/h4-6,19,22-23H,3,7H2,1-2H3 |
| Smiles | CCOCC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C(=C(C=C3)OC)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Knoxia Valerianoides (Plant) Rel Props:Source_db:cmaup_ingredients