Glycoside
GD085863
Name:
3-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-1-(pyridin-2-yl)prop-2-en-1-oneFormula:
C21H23O8NSmiles:
COc1cc(/C=C/C(=O)c2ccccn2)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(C=CC(=O)c2ccccn2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 417.41 | Num_heavy_atoms: | 30 |
| TPSA: | 138.57 | NumAromaticRings: | 2 |
Unique Aglycone
AD38236
Formula: C15H13O3N
Smiles:
COc1cc(C=CC(=O)c2ccccn2)ccc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 255.27 | Num_heavy_atoms: | 19 |
| TPSA: | 59.42 | NumAromaticRings: | 2 |
