Vicenin-2
Representations & DB's id
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| ChEBI: | CHEBI:69814 | |
|---|---|---|
| ChEMBL: | CHEMBL1442950 | |
| PubChem: | 442664 | |
| IUPAC: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one | |
| Standard InChI: | InChI=1S/C27H30O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-5,12-13,17-18,21-24,26-30,32-39H,6-7H2/t12-,13-,17-,18-,21+,22+,23-,24-,26+,27+/m1/s1 | |
| Standard InChI Key: | FIAAVMJLAGNUKW-VQVVXJKKSA-N | |
| SMILES: | OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)c([C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)c(c2c1oc(cc2=O)c1ccc(cc1)O)O | |
Molecular propeties
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| AlogP: | -2.39 | |
|---|---|---|
| Hydrogen bonds acceptors: | 15 | |
| Hydrogen bonds donors: | 11 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 5 | |
| Molecular Weight: | 594.16 | |
| Topological polar surface area: | 267 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.444 | |
| Number of carbons: | 27 | |