5-(2-Methylpropanoyl)-Phloroglucinol-Glucopyranoside
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL463351 | |
| PubChem: | 11610142 | |
| IUPAC: | 1-[2,6-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-methylpropan-1-one | |
| Standard InChI: | InChI=1S/C16H22O9/c1-6(2)12(20)11-8(18)3-7(4-9(11)19)24-16-15(23)14(22)13(21)10(5-17)25-16/h3-4,6,10,13-19,21-23H,5H2,1-2H3/t10-,13-,14+,15-,16-/m1/s1 | |
| Standard InChI Key: | QOMOPCDUWZTNOZ-LMXXTMHSSA-N | |
| SMILES: | OC[C@H]1O[C@@H](Oc2cc(O)c(c(c2)O)C(=O)C(C)C)[C@@H]([C@H]([C@@H]1O)O)O | |
Molecular propeties
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| AlogP: | -0.88 | |
|---|---|---|
| Hydrogen bonds acceptors: | 9 | |
| Hydrogen bonds donors: | 6 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 2 | |
| Molecular Weight: | 358.13 | |
| Topological polar surface area: | 157 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.562 | |
| Number of carbons: | 16 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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