11-Hydroxytetrangomycin
PubChem CID: 11186778
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| Compound Synonyms | 11-hydroxytetrangomycin |
|---|---|
| Topological Polar Surface Area | 112.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 629.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-3,8,11-trihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C19H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DAQAFYNXKLSVKU-LJQANCHMSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -4.835 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.163 |
| Compound Name | 11-Hydroxytetrangomycin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 338.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 338.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 338.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.911853 |
| Inchi | InChI=1S/C19H14O6/c1-19(25)6-8-2-3-9-14(13(8)12(22)7-19)18(24)16-11(21)5-4-10(20)15(16)17(9)23/h2-5,20-21,25H,6-7H2,1H3/t19-/m1/s1 |
| Smiles | C[C@]1(CC2=C(C(=O)C1)C3=C(C=C2)C(=O)C4=C(C=CC(=C4C3=O)O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Thalictrum Dasycarpum (Plant) Rel Props:Source_db:cmaup_ingredients