7-Hydroxy-4-(7-hydroxy-6,8-dimethoxy-2-oxochromen-4-yl)-6,8-dimethoxychromen-2-one
PubChem CID: 11259276
Connections displayed (default: 10).
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| Topological Polar Surface Area | 130.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 741.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-4-(7-hydroxy-6,8-dimethoxy-2-oxochromen-4-yl)-6,8-dimethoxychromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C22H18O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SRXDLJDZODAADY-UHFFFAOYSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -4.258 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.841 |
| Compound Name | 7-Hydroxy-4-(7-hydroxy-6,8-dimethoxy-2-oxochromen-4-yl)-6,8-dimethoxychromen-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 442.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 442.09 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 442.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9735312000000014 |
| Inchi | InChI=1S/C22H18O10/c1-27-13-5-11-9(7-15(23)31-19(11)21(29-3)17(13)25)10-8-16(24)32-20-12(10)6-14(28-2)18(26)22(20)30-4/h5-8,25-26H,1-4H3 |
| Smiles | COC1=C(C(=C2C(=C1)C(=CC(=O)O2)C3=CC(=O)OC4=C(C(=C(C=C34)OC)O)OC)OC)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sarcandra Glabra (Plant) Rel Props:Source_db:cmaup_ingredients