Glycoside
GD011349
Name:
NoneFormula:
C20H20O4N8Smiles:
Cc1nccn1-c1ccc(NC(=O)[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)cc1Aglycone:
Cc1nccn1-c1ccc(NC=O)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 436.43 | Num_heavy_atoms: | 32 |
| TPSA: | 166.23 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD08686
Formula: C11H11ON3
Smiles:
Cc1nccn1-c1ccc(NC=O)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 201.23 | Num_heavy_atoms: | 15 |
| TPSA: | 46.92 | NumAromaticRings: | 2 |
