Glycoside
GD083981
Name:
NoneFormula:
C19H23O4N7Smiles:
OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCN(c5ccccn5)C4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2NC2CCN(c3ccccn3)C2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 413.44 | Num_heavy_atoms: | 30 |
| TPSA: | 141.68 | NumAromaticRings: | 3 |
Unique Aglycone
AD37461
Formula: C14H14N7
Smiles:
C1=Nc2c(ncnc2NC2CCN(c3ccccn3)C2)[N]1| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 280.32 | Num_heavy_atoms: | 21 |
| TPSA: | 80.4 | NumAromaticRings: | 2 |
