Glycoside
GD129667
Name:
NoneFormula:
C19H27O5N5Smiles:
CNCc1cn(CC2OC(CC(O)=NCc3ccc(OC)cc3)C(O)C2O)nn1Aglycone:
CNCc1cn(C)nn1.COc1ccc(CN=C(C)O)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 9 |
| MolWt: | 405.46 | Num_heavy_atoms: | 29 |
| TPSA: | 134.25 | NumAromaticRings: | 2 |
Unique Aglycone
AD13408
Formula: C5H10N4
Smiles:
CNCc1cn(C)nn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 126.16 | Num_heavy_atoms: | 9 |
| TPSA: | 42.74 | NumAromaticRings: | 1 |
AD47632
Formula: C10H13O2N
Smiles:
COc1ccc(CN=C(C)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 179.22 | Num_heavy_atoms: | 13 |
| TPSA: | 41.82 | NumAromaticRings: | 1 |
