7-Hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
PubChem CID: 44134702
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | HMS3373P07, 7-Hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one, hydrate |
|---|---|
| Topological Polar Surface Area | 147.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 495.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one, hydrate |
| Prediction Hob | 0.0 |
| Molecular Formula | C15H18O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CQYPGSKIFJFVDQ-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -5.328 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.323 |
| Compound Name | 7-Hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one, hydrate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 358.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 358.09 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 358.3 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.4143538000000003 |
| Inchi | InChI=1S/C15H16O9.H2O/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17, /h1-4,10,12-17,19-21H,5H2, 1H2 |
| Smiles | C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O.O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euphorbia Lathyris (Plant) Rel Props:Source_db:cmaup_ingredients