Glycoside
GD011544
Name:
NoneFormula:
C21H20O7N2Smiles:
NC(=O)c1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c2ccc(Oc3ccccc3)cc2c1=OAglycone:
NC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.24 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 412.4 | Num_heavy_atoms: | 30 |
| TPSA: | 144.24 | NumAromaticRings: | 3 |
Unique Aglycone
AD08813
Formula: C16H12O3N2
Smiles:
NC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 280.28 | Num_heavy_atoms: | 21 |
| TPSA: | 85.18 | NumAromaticRings: | 3 |
