Glycoside
GD012725
Name:
NoneFormula:
C20H21O4N7Smiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(N)nc(C#Cc4ccc(N)cc4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Nc1ccc(C#Cc2nc(N)c3c(n2)[N]C=N3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.3 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 423.43 | Num_heavy_atoms: | 31 |
| TPSA: | 174.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD09563
Formula: C13H9N6
Smiles:
Nc1ccc(C#Cc2nc(N)c3c(n2)[N]C=N3)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 0 |
| MolWt: | 249.26 | Num_heavy_atoms: | 19 |
| TPSA: | 104.28 | NumAromaticRings: | 2 |
