Glycoside
GD012271
Name:
NoneFormula:
C22H27O5N7Smiles:
C=CCOc1ccc(C[C@H](N)C(=O)NC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)cc1Aglycone:
C=CCOc1ccc(CC(N)C(=O)NC)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.36 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 9 |
| MolWt: | 469.5 | Num_heavy_atoms: | 34 |
| TPSA: | 183.66 | NumAromaticRings: | 3 |
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 |
AD09267
Formula: C13H18O2N2
Smiles:
C=CCOc1ccc(CC(N)C(=O)NC)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 6 |
| MolWt: | 234.3 | Num_heavy_atoms: | 17 |
| TPSA: | 64.35 | NumAromaticRings: | 1 |
