(7S,8R)-Urolignoside
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2336751 | |
| PubChem: | 10602086 | |
| IUPAC: | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(2S,3R)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol | |
| Standard InChI: | InChI=1S/C26H34O11/c1-33-18-10-14(5-6-17(18)35-26-23(32)22(31)21(30)20(12-29)36-26)24-16(11-28)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h5-6,8-10,16,20-24,26-32H,3-4,7,11-12H2,1-2H3/t16-,20+,21+,22-,23+,24+,26+/m0/s1 | |
| Standard InChI Key: | NYAPVWGUAUDHRY-KUCLMONLSA-N | |
| SMILES: | OCCCc1cc(OC)c2c(c1)[C@H](CO)[C@H](O2)c1ccc(c(c1)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O | |
Molecular propeties
| ||
| AlogP: | 0.02 | |
|---|---|---|
| Hydrogen bonds acceptors: | 11 | |
| Hydrogen bonds donors: | 6 | |
| Rotatable bonds: | 10 | |
| Number of rings: | 4 | |
| Molecular Weight: | 522.21 | |
| Topological polar surface area: | 168 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.538 | |
| Number of carbons: | 26 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|