8-(4,7-Dihydroxy-2,8-dimethoxyphenanthren-1-yl)-1,7-dimethoxyphenanthrene-2,5-diol
PubChem CID: 155538554
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| Compound Synonyms | CHEMBL4476683 |
|---|---|
| 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 | 8-(4,7-dihydroxy-2,8-dimethoxyphenanthren-1-yl)-1,7-dimethoxyphenanthrene-2,5-diol |
| Prediction Hob | 0.0 |
| Xlogp | 7.0 |
| Molecular Formula | C32H26O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DDWHPHCYLJLNDE-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -6.644 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.635 |
| Compound Name | 8-(4,7-Dihydroxy-2,8-dimethoxyphenanthren-1-yl)-1,7-dimethoxyphenanthrene-2,5-diol |
| 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/c1-37-25-13-23(35)27-15-9-11-21(33)31(39-3)17(15)5-7-19(27)29(25)30-20-8-6-18-16(10-12-22(34)32(18)40-4)28(20)24(36)14-26(30)38-2/h5-14,33-36H,1-4H3 |
| Smiles | COC1=C(C2=C(C3=C(C=C2)C(=C(C=C3)O)OC)C(=C1)O)C4=C(C=C(C5=C4C=CC6=C5C=CC(=C6OC)O)O)OC |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bletilla Striata (Plant) Rel Props:Source_db:cmaup_ingredients