Glycoside
GD083881
Name:
NoneFormula:
C18H20O5N6Smiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(Nc3ccccc3C(N)=O)ncnc21Aglycone:
NC(=O)c1ccccc1Nc1ncnc2c1N=C[N]2Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 400.4 | Num_heavy_atoms: | 29 |
| TPSA: | 157.64 | NumAromaticRings: | 3 |
Unique Aglycone
AD37398
Formula: C12H9ON6
Smiles:
NC(=O)c1ccccc1Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 253.24 | Num_heavy_atoms: | 19 |
| TPSA: | 107.36 | NumAromaticRings: | 2 |
