Rhamnetin Tetraacetate
PubChem CID: 44584490
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| Compound Synonyms | rhamnetin tetraacetate, 6QWP17VRS3, Rhamnetin tetraacetate [MI], 16280-26-5, UNII-6QWP17VRS3, 7-Methoxyflavone 3,3',4',5-tetraacetate, Flavone, 3,3',4',5-tetrahydroxy-7-methoxy-, tetraacetate, 3,5-Bis(acetyloxy)-2-(3,4-bis(acetyloxy)phenyl)-7-methoxy-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 3,5-bis(acetyloxy)-2-(3,4-bis(acetyloxy)phenyl)-7-methoxy-, [2-acetyloxy-4-(3,5-diacetyloxy-7-methoxy-4-oxochromen-2-yl)phenyl] acetate, (2-acetyloxy-4-(3,5-diacetyloxy-7-methoxy-4-oxochromen-2-yl)phenyl) acetate, CHEMBL463174, AKOS040747379, 4-(3,5-diacetoxy-7-methoxy-4-oxo-4H-chromen-2-yl)-1,2-phenylene diacetate |
|---|---|
| Topological Polar Surface Area | 141.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 35.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 907.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | [2-acetyloxy-4-(3,5-diacetyloxy-7-methoxy-4-oxochromen-2-yl)phenyl] acetate |
| Prediction Hob | 0.0 |
| Xlogp | 2.4 |
| Molecular Formula | C24H20O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KZTALIDUOQKECB-UHFFFAOYSA-N |
| Fcsp3 | 0.2083333333333333 |
| Logs | -4.653 |
| Rotatable Bond Count | 10.0 |
| Logd | 2.104 |
| Compound Name | Rhamnetin Tetraacetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 484.101 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 484.101 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 484.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6493463142857157 |
| Inchi | InChI=1S/C24H20O11/c1-11(25)31-17-7-6-15(8-18(17)32-12(2)26)23-24(34-14(4)28)22(29)21-19(33-13(3)27)9-16(30-5)10-20(21)35-23/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(=O)C |
| 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