Glycoside
GD080919
Name:
NoneFormula:
C17H22O6N6Smiles:
CC(C)N1C(=O)C[C@@H](Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=OAglycone:
CC(C)N1C(=O)CC(Nc2ncnc3c2N=C[N]3)C1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 406.4 | Num_heavy_atoms: | 29 |
| TPSA: | 162.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD36531
Formula: C12H13O2N6
Smiles:
CC(C)N1C(=O)CC(Nc2ncnc3c2N=C[N]3)C1=O| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 273.28 | Num_heavy_atoms: | 20 |
| TPSA: | 101.65 | NumAromaticRings: | 1 |
