Dihydrovomifoliol-O-Beta-D-Glucopyranoside
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3326713 | |
| PubChem: | 14135399 | |
| IUPAC: | (4S)-4-hydroxy-3,5,5-trimethyl-4-[(3R)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]cyclohex-2-en-1-one | |
| Standard InChI: | InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11,13-17,20,22-25H,5-6,8-9H2,1-4H3/t11-,13-,14-,15+,16-,17-,19-/m1/s1 | |
| Standard InChI Key: | CZYPGTRKJFYXLT-SUHXYMONSA-N | |
| SMILES: | OC[C@H]1O[C@@H](O[C@@H](CC[C@@]2(O)C(=CC(=O)CC2(C)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O | |
Molecular propeties
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| AlogP: | -0.35 | |
|---|---|---|
| Hydrogen bonds acceptors: | 8 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 2 | |
| Molecular Weight: | 388.21 | |
| Topological polar surface area: | 137 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.842 | |
| Number of carbons: | 19 | |