Glycoside
GD022981
Name:
NoneFormula:
C21H21O6N3Smiles:
NC(=O)c1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c2ccc(Nc3ccccc3)cc2c1=OAglycone:
NC(=O)c1c[nH]c2ccc(Nc3ccccc3)cc2c1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.24 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 411.41 | Num_heavy_atoms: | 30 |
| TPSA: | 147.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD15505
Formula: C16H13O2N3
Smiles:
NC(=O)c1c[nH]c2ccc(Nc3ccccc3)cc2c1=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 279.3 | Num_heavy_atoms: | 21 |
| TPSA: | 87.98 | NumAromaticRings: | 3 |
