2,2',7,7'-Tetrahydroxy-4,4',6,6'-tetramethoxy-1,1'-biphenanthrene
PubChem CID: 44600287
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL3984480, C32H26O8, 2,2',7,7'-tetrahydroxy-4,4',6,6'-tetramethoxy-1,1'-biphenanthrene |
|---|---|
| Topological Polar Surface Area | 118.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 40.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 789.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2,7-dihydroxy-4,6-dimethoxyphenanthren-1-yl)-4,6-dimethoxyphenanthrene-2,7-diol |
| Prediction Hob | 0.0 |
| Xlogp | 7.0 |
| Molecular Formula | C32H26O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YPXFNDKNNGQAKQ-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -7.267 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.742 |
| Compound Name | 2,2',7,7'-Tetrahydroxy-4,4',6,6'-tetramethoxy-1,1'-biphenanthrene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 538.163 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 538.163 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 538.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.783322400000001 |
| Inchi | InChI=1S/C32H26O8/c1-37-25-11-19-15(9-21(25)33)5-7-17-29(19)27(39-3)13-23(35)31(17)32-18-8-6-16-10-22(34)26(38-2)12-20(16)30(18)28(40-4)14-24(32)36/h5-14,33-36H,1-4H3 |
| Smiles | COC1=C(C=C2C=CC3=C(C(=CC(=C3C2=C1)OC)O)C4=C5C=CC6=CC(=C(C=C6C5=C(C=C4O)OC)OC)O)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bletilla Formosana (Plant) Rel Props:Source_db:cmaup_ingredients