Glycoside
GD011089
Name:
NoneFormula:
C21H22O4N6Smiles:
OC[C@@H]1OC(n2cnc3c(NCCc4cnc5ccccc5c4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCCc2cnc3ccccc3c2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 422.45 | Num_heavy_atoms: | 31 |
| TPSA: | 138.44 | NumAromaticRings: | 4 |
Unique Aglycone
AD08500
Formula: C16H13N6
Smiles:
C1=Nc2c(ncnc2NCCc2cnc3ccccc3c2)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 289.32 | Num_heavy_atoms: | 22 |
| TPSA: | 77.16 | NumAromaticRings: | 3 |
