Didemethylpseudoaspidin AA
PubChem CID: 5316623
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| Compound Synonyms | Didemethylpseudoaspidin AA, 142382-28-3, 1-[3-[(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)methyl]-2,4-dihydroxy-6-methoxyphenyl]ethanone, 1-{3-[(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)methyl]-2,4-dihydroxy-6-methoxyphenyl}ethanone, 3,3'-Diacetyl-4,4'-dimethoxy-2,2',6,6'-tetrahydroxy diphenyl methane, AKOS040735852, FS-8049, 1,1'-(Methylenebis(2,4-dihydroxy-6-methoxy-3,1-phenylene))bis(ethan-1-one) |
|---|---|
| Topological Polar Surface Area | 134.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 492.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[3-[(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)methyl]-2,4-dihydroxy-6-methoxyphenyl]ethanone |
| Prediction Hob | 0.0 |
| Xlogp | 2.8 |
| Molecular Formula | C19H20O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SLIVGKVXFMMUFR-UHFFFAOYSA-N |
| Fcsp3 | 0.2631578947368421 |
| Logs | -2.76 |
| Rotatable Bond Count | 6.0 |
| Logd | 1.328 |
| Compound Name | Didemethylpseudoaspidin AA |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 376.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 376.116 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 376.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8955270888888895 |
| Inchi | InChI=1S/C19H20O8/c1-8(20)16-14(26-3)6-12(22)10(18(16)24)5-11-13(23)7-15(27-4)17(9(2)21)19(11)25/h6-7,22-25H,5H2,1-4H3 |
| Smiles | CC(=O)C1=C(C=C(C(=C1O)CC2=C(C(=C(C=C2O)OC)C(=O)C)O)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euphorbia Ebracteolata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Euphorbia Kansui (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Taxus Baccata (Plant) Rel Props:Source_db:cmaup_ingredients