7,7'-Biphyscion
PubChem CID: 189101
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 7,7'-Biphyscion, 36942-61-7, Biphyscion, 2-(1,8-dihydroxy-3-methoxy-6-methyl-9,10-dioxoanthracen-2-yl)-1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione, DTXSID50190440, 1,1',8,8'-Tetrahydroxy-3,3'-dimethoxy-6,6'-dimethyl-[2,2'-bianthracene]-9,9',10,10'-tetraone, DTXCID60112931, DB-226401 |
|---|---|
| Topological Polar Surface Area | 168.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 42.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1040.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(1,8-dihydroxy-3-methoxy-6-methyl-9,10-dioxoanthracen-2-yl)-1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione |
| Prediction Hob | 0.0 |
| Xlogp | 5.8 |
| Molecular Formula | C32H22O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CMYFTPKBPRIMRP-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -7.994 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.303 |
| Compound Name | 7,7'-Biphyscion |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 566.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 566.121 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 566.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.224968742857143 |
| Inchi | InChI=1S/C32H22O10/c1-11-5-13-21(17(33)7-11)29(37)23-15(27(13)35)9-19(41-3)25(31(23)39)26-20(42-4)10-16-24(32(26)40)30(38)22-14(28(16)36)6-12(2)8-18(22)34/h5-10,33-34,39-40H,1-4H3 |
| Smiles | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C(=C(C=C3C2=O)OC)C4=C(C=C5C(=C4O)C(=O)C6=C(C5=O)C=C(C=C6O)C)OC)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Senna Occidentalis (Plant) Rel Props:Source_db:cmaup_ingredients