Glycoside
GD063114
Name:
NoneFormula:
C15H22O4N6Smiles:
OC[C@H]1O[C@@H](n2cnc3c(NCCN4CCC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2NCCN2CCC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 350.38 | Num_heavy_atoms: | 25 |
| TPSA: | 128.79 | NumAromaticRings: | 2 |
Unique Aglycone
AD30425
Formula: C10H13N6
Smiles:
C1=Nc2c(ncnc2NCCN2CCC2)[N]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 217.26 | Num_heavy_atoms: | 16 |
| TPSA: | 67.51 | NumAromaticRings: | 1 |
