Glycoside
GD031143
Name:
NoneFormula:
C11H13O7N5Smiles:
Nc1nc2c(c(C(=O)O)nn2C2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
Nc1nc2c(c(=O)[nH]1)C(C(=O)O)=N[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | -2.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 327.25 | Num_heavy_atoms: | 23 |
| TPSA: | 196.81 | NumAromaticRings: | 2 |
Unique Aglycone
AD20085
Formula: C6H4O3N5
Smiles:
Nc1nc2c(c(=O)[nH]1)C(C(=O)O)=N[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 1 |
| MolWt: | 194.13 | Num_heavy_atoms: | 14 |
| TPSA: | 135.53 | NumAromaticRings: | 1 |
