Glycoside
GD078105
Name:
NoneFormula:
C18H22O4N6Smiles:
OC[C@H]1O[C@@H](n2ccc3c(Nc4cnn(CC5CC5)c4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Cc2c(ncnc2Nc2cnn(CC3CC3)c2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 386.41 | Num_heavy_atoms: | 28 |
| TPSA: | 130.48 | NumAromaticRings: | 3 |
Unique Aglycone
AD35808
Formula: C13H13N6
Smiles:
C1=Cc2c(ncnc2Nc2cnn(CC3CC3)c2)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 253.29 | Num_heavy_atoms: | 19 |
| TPSA: | 69.73 | NumAromaticRings: | 2 |
