Glycoside
GD001107
Name:
NoneFormula:
C19H26O9Smiles:
COc1cc(C=CC(=O)C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(OC)c1OCAglycone:
COc1cc(C=CC(C)=O)cc(OC)c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 398.41 | Num_heavy_atoms: | 28 |
| TPSA: | 134.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD00603
Formula: C13H16O4
Smiles:
COc1cc(C=CC(C)=O)cc(OC)c1OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.31 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 236.27 | Num_heavy_atoms: | 17 |
| TPSA: | 44.76 | NumAromaticRings: | 1 |
