Glycoside
GD035801
Name:
NoneFormula:
C18H22O5N6Smiles:
COc1cccc(CNc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c1Aglycone:
COc1cccc(CNC2=Nc3c(N)ncnc3[N]2)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 402.41 | Num_heavy_atoms: | 29 |
| TPSA: | 160.8 | NumAromaticRings: | 3 |
Unique Aglycone
AD22631
Formula: C13H13ON6
Smiles:
COc1cccc(CNC2=Nc3c(N)ncnc3[N]2)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 269.29 | Num_heavy_atoms: | 20 |
| TPSA: | 99.52 | NumAromaticRings: | 2 |
