Glycoside
GD091398
Name:
NoneFormula:
C22H22O6N4Smiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1Aglycone:
NC(=O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 438.44 | Num_heavy_atoms: | 32 |
| TPSA: | 157.92 | NumAromaticRings: | 3 |
Unique Aglycone
AD39876
Formula: C16H12ON4
Smiles:
NC(=O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 276.3 | Num_heavy_atoms: | 21 |
| TPSA: | 81.76 | NumAromaticRings: | 3 |
