CID 44259643
PubChem CID: 44259643
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | LMPK12112672 |
|---|---|
| Topological Polar Surface Area | 164.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 749.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 5-hydroxy-3,7-dimethoxy-2-[4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 1.4 |
| Molecular Formula | C23H24O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AMYHLRMWVVIQBZ-LCSWUFRPSA-N |
| Fcsp3 | 0.3478260869565217 |
| Logs | -4.019 |
| Rotatable Bond Count | 6.0 |
| Logd | 1.871 |
| Compound Name | CID 44259643 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 476.132 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 476.132 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 476.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.243826094117648 |
| Inchi | InChI=1S/C23H24O11/c1-30-12-7-13(25)16-14(8-12)33-21(22(31-2)18(16)27)10-3-5-11(6-4-10)32-23-20(29)19(28)17(26)15(9-24)34-23/h3-8,15,17,19-20,23-26,28-29H,9H2,1-2H3/t15?,17-,19?,20?,23-/m1/s1 |
| Smiles | COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC=C(C=C3)O[C@H]4C(C([C@@H](C(O4)CO)O)O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lantana Camara (Plant) Rel Props:Source_db:cmaup_ingredients