Chavicol glucopyranoside
PubChem CID: 69322896
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| Compound Synonyms | chavicol glucopyranoside, SCHEMBL5129500 |
|---|---|
| Prediction Swissadme | 1.0 |
| Topological Polar Surface Area | 99.4 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | BGWWYZXBGAKMRB-HHHGZCDHSA-N |
| Fcsp3 | 0.4666666666666667 |
| Rotatable Bond Count | 5.0 |
| Heavy Atom Count | 21.0 |
| Compound Name | Chavicol glucopyranoside |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 296.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.126 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 328.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 296.31 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R,3S,4S,5R)-2-(hydroxymethyl)-6-(4-prop-2-enylphenoxy)oxane-3,4,5-triol |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -1.905106371428571 |
| Inchi | InChI=1S/C15H20O6/c1-2-3-9-4-6-10(7-5-9)20-15-14(19)13(18)12(17)11(8-16)21-15/h2,4-7,11-19H,1,3,8H2/t11-,12-,13+,14-,15?/m1/s1 |
| Smiles | C=CCC1=CC=C(C=C1)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| Xlogp | 1.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H20O6 |
- 1. Outgoing r'ship
FOUND_INto/from Prunus Mume (Plant) Rel Props:Source_db:cmaup_ingredients