Frangulin B
Representations & DB's id
| ||
| ChEBI: | CHEBI:5168 | |
|---|---|---|
| ChEMBL: | CHEMBL496999 | |
| PubChem: | 442744 | |
| IUPAC: | 3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-1,8-dihydroxy-6-methylanthracene-9,10-dione | |
| Standard InChI: | InChI=1S/C20H18O9/c1-8-2-10-14(12(22)3-8)17(25)15-11(16(10)24)4-9(5-13(15)23)29-19-18(26)20(27,6-21)7-28-19/h2-5,18-19,21-23,26-27H,6-7H2,1H3/t18-,19-,20+/m0/s1 | |
| Standard InChI Key: | AEQMIFRODRFTJF-SLFFLAALSA-N | |
| SMILES: | OC[C@@]1(O)CO[C@H]([C@@H]1O)Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C | |
Molecular propeties
| ||
| AlogP: | 0 | |
|---|---|---|
| Hydrogen bonds acceptors: | 9 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 4 | |
| Molecular Weight: | 402.1 | |
| Topological polar surface area: | 154 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.3 | |
| Number of carbons: | 20 | |