Glycoside
GD026500
Name:
NoneFormula:
C25H29O6N7Smiles:
Cc1ccc(C#C[C@H](CC[C@H](N)C(=O)O)C[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)cc1C(N)=OAglycone:
Cc1ccc(C#CC(C)CCC(N)C(=O)O)cc1C(N)=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.4 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 523.55 | Num_heavy_atoms: | 38 |
| TPSA: | 225.72 | 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 |
AD17461
Formula: C16H20O3N2
Smiles:
Cc1ccc(C#CC(C)CCC(N)C(=O)O)cc1C(N)=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 288.35 | Num_heavy_atoms: | 21 |
| TPSA: | 106.41 | NumAromaticRings: | 1 |
