Glycoside
GD102074
Name:
NoneFormula:
C23H24O9N2Smiles:
COc1cc2nccc(Oc3ccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cc3)c2cc1OCAglycone:
COc1cc2nccc(Oc3ccc(N)cc3)c2cc1OCSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 10 |
| MolWt: | 472.45 | Num_heavy_atoms: | 34 |
| TPSA: | 167.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD43210
Formula: C17H16O3N2
Smiles:
COc1cc2nccc(Oc3ccc(N)cc3)c2cc1OC| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 296.33 | Num_heavy_atoms: | 22 |
| TPSA: | 66.6 | NumAromaticRings: | 3 |
