5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
PubChem CID: 44583907
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| Compound Synonyms | CHEMBL498250 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 146.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | IMVRWUJCOBUHCO-TVKJYDDYSA-N |
| Fcsp3 | 0.4 |
| Rotatable Bond Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Compound Name | 5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 340.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 340.079 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 495.0 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 340.28 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | 5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 0.0 |
| Esol | -0.9638941333333335 |
| Inchi | InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-6-3-8(18)11-7(17)1-2-22-9(11)4-6/h1-4,10,12-16,18-21H,5H2/t10-,12-,13+,14-,15-/m1/s1 |
| Smiles | C1=COC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| Xlogp | -0.4 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H16O9 |
- 1. Outgoing r'ship
FOUND_INto/from Drynaria Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients