Rhamnazin Triacetate
PubChem CID: 44584491
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| Compound Synonyms | rhamnazin triacetate, (4-(3,5-diacetyloxy-7-methoxy-4-oxochromen-2-yl)-2-methoxyphenyl) acetate, [4-(3,5-diacetyloxy-7-methoxy-4-oxochromen-2-yl)-2-methoxyphenyl] acetate, CHEMBL465819 |
|---|---|
| Topological Polar Surface Area | 124.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 33.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 818.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | [4-(3,5-diacetyloxy-7-methoxy-4-oxochromen-2-yl)-2-methoxyphenyl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C23H20O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LODXNGWSMYYFFA-UHFFFAOYSA-N |
| Fcsp3 | 0.217391304347826 |
| Logs | -4.497 |
| Rotatable Bond Count | 9.0 |
| Logd | 2.23 |
| Compound Name | Rhamnazin Triacetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 456.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 456.106 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 456.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.70078647878788 |
| Inchi | InChI=1S/C23H20O10/c1-11(24)30-16-7-6-14(8-17(16)29-5)22-23(32-13(3)26)21(27)20-18(31-12(2)25)9-15(28-4)10-19(20)33-22/h6-10H,1-5H3 |
| Smiles | CC(=O)OC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC(=O)C)OC)OC(=O)C)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rhamnus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all