Glycoside
GD022021
Name:
NoneFormula:
C11H13O6N5Smiles:
Nc1nc(=O)c2c(ncn2C2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
Nc1nc(=O)c2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | -3.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 311.25 | Num_heavy_atoms: | 22 |
| TPSA: | 176.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD12184
Formula: C6H4O2N5
Smiles:
Nc1nc(=O)c2c(c(=O)[nH]1)N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 0 |
| MolWt: | 178.13 | Num_heavy_atoms: | 13 |
| TPSA: | 115.3 | NumAromaticRings: | 1 |
