Glycoside
GD027840
Name:
NoneFormula:
C27H24O6N6Smiles:
O=[N+]([O-])c1cccc(C2CC2Nc2nc(C#Cc3ccccc3)nc3c2ncn3[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c1Aglycone:
O=[N+]([O-])c1cccc(C2CC2Nc2nc(C#Cc3ccccc3)nc3c2N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 6 |
| MolWt: | 528.53 | Num_heavy_atoms: | 39 |
| TPSA: | 168.69 | NumAromaticRings: | 4 |
Unique Aglycone
AD18251
Formula: C22H15O2N6
Smiles:
O=[N+]([O-])c1cccc(C2CC2Nc2nc(C#Cc3ccccc3)nc3c2N=C[N]3)c1| HBA: | 8 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 3.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 395.4 | Num_heavy_atoms: | 30 |
| TPSA: | 107.41 | NumAromaticRings: | 3 |
