Glycoside
GD082624
Name:
NoneFormula:
C17H18O6N6Smiles:
O=c1[nH]cnc2c1nc(N/N=C/c1ccccc1O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
O=c1[nH]cnc2c1N=C(NN=Cc1ccccc1O)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 402.37 | Num_heavy_atoms: | 29 |
| TPSA: | 178.11 | NumAromaticRings: | 3 |
Unique Aglycone
AD37086
Formula: C12H9O2N6
Smiles:
O=c1[nH]cnc2c1N=C(NN=Cc1ccccc1O)[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 269.24 | Num_heavy_atoms: | 20 |
| TPSA: | 116.83 | NumAromaticRings: | 2 |
