Glycoside
GD027216
Name:
NoneFormula:
C16H22O4N6Smiles:
OC[C@@H]1O[C@H](n2cnc3c(NC4CC4)nc(NC4CC4)nc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(nc(NC3CC3)nc2NC2CC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 362.39 | Num_heavy_atoms: | 26 |
| TPSA: | 137.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD17910
Formula: C11H13N6
Smiles:
C1=Nc2c(nc(NC3CC3)nc2NC2CC2)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 229.27 | Num_heavy_atoms: | 17 |
| TPSA: | 76.3 | NumAromaticRings: | 1 |
