Glycoside
GD010923
Name:
NoneFormula:
C19H20O6N6Smiles:
O=[N+]([O-])c1ccc2c(c1)CCN(c1ncnc3c1ncn3[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O)C2Aglycone:
O=[N+]([O-])c1ccc2c(c1)CCN(c1ncnc3c1N=C[N]3)C2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 428.41 | Num_heavy_atoms: | 31 |
| TPSA: | 159.9 | NumAromaticRings: | 3 |
Unique Aglycone
AD08382
Formula: C14H11O2N6
Smiles:
O=[N+]([O-])c1ccc2c(c1)CCN(c1ncnc3c1N=C[N]3)C2| HBA: | 8 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.21 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 2 |
| MolWt: | 295.28 | Num_heavy_atoms: | 22 |
| TPSA: | 98.62 | NumAromaticRings: | 2 |
