5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
PubChem CID: 71665540
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| Compound Synonyms | CHEMBL2332669 |
|---|---|
| Topological Polar Surface Area | 166.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 536.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | 5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | -0.6 |
| Molecular Formula | C15H16O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HLASXNXXKUJRCN-WMNSZERYSA-N |
| Fcsp3 | 0.4 |
| Logs | -2.205 |
| Rotatable Bond Count | 3.0 |
| Logd | -0.116 |
| Compound Name | 5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 356.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 356.074 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 356.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.0885546000000004 |
| Inchi | InChI=1S/C15H16O10/c16-3-8-12(20)13(21)14(22)15(24-8)25-9-4-23-7-2-5(17)1-6(18)10(7)11(9)19/h1-2,4,8,12-18,20-22H,3H2/t8-,12-,13+,14-,15+/m1/s1 |
| Smiles | C1=C(C=C2C(=C1O)C(=O)C(=CO2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eurya Japonica (Plant) Rel Props:Source_db:cmaup_ingredients