Licoagroside F
PubChem CID: 42607722
Connections displayed (default: 10).
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| Compound Synonyms | Licoagroside F, 4,2',4',alpha-Tetrahydroxydihydrochalcone alpha-O-glucoside, LMPK12120569 |
|---|---|
| Topological Polar Surface Area | 177.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 581.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | 1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-1-one |
| Prediction Hob | 0.0 |
| Xlogp | 0.8 |
| Molecular Formula | C21H24O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GATJXNOZPSWBQU-XSWPGRQDSA-N |
| Fcsp3 | 0.3809523809523809 |
| Logs | -2.519 |
| Rotatable Bond Count | 7.0 |
| Logd | 0.519 |
| Compound Name | Licoagroside F |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 436.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 436.137 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 436.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8994122129032265 |
| Inchi | InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15(7-10-1-3-11(23)4-2-10)17(26)13-6-5-12(24)8-14(13)25/h1-6,8,15-16,18-25,27-29H,7,9H2/t15?,16?,18-,19+,20?,21-/m1/s1 |
| Smiles | C1=CC(=CC=C1CC(C(=O)C2=C(C=C(C=C2)O)O)O[C@H]3C([C@H]([C@@H](C(O3)CO)O)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eucommia Ulmoides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Pallidiflora (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Sp (Plant) Rel Props:Source_db:cmaup_ingredients