Glycoside
GD015535
Name:
NoneFormula:
C19H20O6N6Smiles:
O=[N+]([O-])c1ccc2c(c1)CCC2Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
O=[N+]([O-])c1ccc2c(c1)CCC2Nc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 428.41 | Num_heavy_atoms: | 31 |
| TPSA: | 168.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD11276
Formula: C14H11O2N6
Smiles:
O=[N+]([O-])c1ccc2c(c1)CCC2Nc1ncnc2c1N=C[N]2| HBA: | 8 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 295.28 | Num_heavy_atoms: | 22 |
| TPSA: | 107.41 | NumAromaticRings: | 2 |
