(2R,3R)-2-(2,5-dihydroxyphenyl)-3,5,7-trihydroxy-6-methoxy-2,3-dihydrochromen-4-one
PubChem CID: 15895375
Connections displayed (default: 10).
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| Topological Polar Surface Area | 137.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 471.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,3R)-2-(2,5-dihydroxyphenyl)-3,5,7-trihydroxy-6-methoxy-2,3-dihydrochromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 1.5 |
| Molecular Formula | C16H14O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XISYFJYTHRPHCY-LSDHHAIUSA-N |
| Fcsp3 | 0.1875 |
| Logs | -3.516 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.882 |
| Compound Name | (2R,3R)-2-(2,5-dihydroxyphenyl)-3,5,7-trihydroxy-6-methoxy-2,3-dihydrochromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 334.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 334.069 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 334.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0640359999999998 |
| Inchi | InChI=1S/C16H14O8/c1-23-16-9(19)5-10-11(13(16)21)12(20)14(22)15(24-10)7-4-6(17)2-3-8(7)18/h2-5,14-15,17-19,21-22H,1H3/t14-,15+/m0/s1 |
| Smiles | COC1=C(C2=C(C=C1O)O[C@@H]([C@H](C2=O)O)C3=C(C=CC(=C3)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dioclea Grandiflora (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Phellodendron Sachalinense (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Protea Mellifera (Plant) Rel Props:Source_db:cmaup_ingredients