Glycoside
GD126762
Name:
NoneFormula:
C16H23O4N5SSmiles:
CNCc1cn(CC2OC(CC(O)=NCc3cccs3)C(O)C2O)nn1Aglycone:
CC(O)=NCc1cccs1.CNCc1cn(C)nn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 8 |
| MolWt: | 381.46 | Num_heavy_atoms: | 26 |
| TPSA: | 125.02 | 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 |
AD51304
Formula: C7H9ONS
Smiles:
CC(O)=NCc1cccs1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 155.22 | Num_heavy_atoms: | 10 |
| TPSA: | 32.59 | NumAromaticRings: | 1 |
