Glycoside
GD070404
Name:
NoneFormula:
C17H20O4N6Smiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(Nc3cccnc3C)ncnc21Aglycone:
Cc1ncccc1Nc1ncnc2c1N=C[N]2Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 372.39 | Num_heavy_atoms: | 27 |
| TPSA: | 127.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD33360
Formula: C11H9N6
Smiles:
Cc1ncccc1Nc1ncnc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 225.23 | Num_heavy_atoms: | 17 |
| TPSA: | 77.16 | NumAromaticRings: | 2 |
