Protosappanin A dimethyl acetal
PubChem CID: 11347693
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| Compound Synonyms | Protosappanin A dimethyl acetal, 868405-37-2, 10,10-dimethoxy-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaene-5,14,15-triol, Protosappaninadimethylacetal, CHEMBL2207726, TJB40537, HY-N10108, AKOS032962617, CS-0255738 |
|---|---|
| Topological Polar Surface Area | 88.4 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 399.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10,10-dimethoxy-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaene-5,14,15-triol |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C17H18O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SVSDBMDJWUPWHK-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -2.964 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.718 |
| Compound Name | Protosappanin A dimethyl acetal |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 318.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 318.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 318.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4348019565217394 |
| Inchi | InChI=1S/C17H18O6/c1-21-17(22-2)8-10-5-14(19)15(20)7-13(10)12-4-3-11(18)6-16(12)23-9-17/h3-7,18-20H,8-9H2,1-2H3 |
| Smiles | COC1(CC2=CC(=C(C=C2C3=C(C=C(C=C3)O)OC1)O)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Biancaea Sappan (Plant) Rel Props:Source_db:cmaup_ingredients