Glycoside
GD004916
Name:
NoneFormula:
C16H22O5N6Smiles:
CC(=O)N1CC[C@H](Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)C1Aglycone:
CC(=O)N1CCC(Nc2ncnc3c2N=C[N]3)C1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 378.39 | Num_heavy_atoms: | 27 |
| TPSA: | 145.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD04235
Formula: C11H13ON6
Smiles:
CC(=O)N1CCC(Nc2ncnc3c2N=C[N]3)C1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 2 |
| MolWt: | 245.27 | Num_heavy_atoms: | 18 |
| TPSA: | 84.58 | NumAromaticRings: | 1 |
