Glycoside
GD148227
Name:
NoneFormula:
C17H30O5N6Smiles:
CNCc1cn(CC2OC(CC(O)=NCCN3CCOCC3)C(O)C2O)nn1Aglycone:
CC(O)=NCCN1CCOCC1.CNCc1cn(C)nn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | -1.83 | Num_rotatable_bonds: | 9 |
| MolWt: | 398.46 | Num_heavy_atoms: | 28 |
| TPSA: | 137.49 | NumAromaticRings: | 1 |
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 |
AD45716
Formula: C8H16O2N2
Smiles:
CC(O)=NCCN1CCOCC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 172.23 | Num_heavy_atoms: | 12 |
| TPSA: | 45.06 | NumAromaticRings: | 0 |
