Glycoside
GD091816
Name:
NoneFormula:
C19H22O6N6Smiles:
COCC(=O)Nc1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1Aglycone:
COCC(=O)Nc1ccc(Nc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 430.42 | Num_heavy_atoms: | 31 |
| TPSA: | 163.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD40038
Formula: C14H13O2N6
Smiles:
COCC(=O)Nc1ccc(Nc2ncnc3c2N=C[N]3)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 297.3 | Num_heavy_atoms: | 22 |
| TPSA: | 102.6 | NumAromaticRings: | 2 |
