Glycoside
GD008125
Name:
NoneFormula:
C12H15O5N5Smiles:
CC(=O)c1nc(N)c2ncn(C3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
CC(=O)c1nc(N)c2c(n1)[N]C=N2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 309.28 | Num_heavy_atoms: | 22 |
| TPSA: | 156.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD06528
Formula: C7H6ON5
Smiles:
CC(=O)c1nc(N)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 1 |
| MolWt: | 176.16 | Num_heavy_atoms: | 13 |
| TPSA: | 95.33 | NumAromaticRings: | 1 |
