Glycoside
GD030586
Name:
NoneFormula:
C26H34O12N8Smiles:
O=C(NCc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1)c1ccc(C(=O)NCc2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1Aglycone:
O=C(NCC1=C[N]N=N1)c1ccc(C(=O)NCC2=C[N]N=N2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.54 |
| AlogP: | -5.33 | Num_rotatable_bonds: | 10 |
| MolWt: | 650.6 | Num_heavy_atoms: | 46 |
| TPSA: | 299.92 | NumAromaticRings: | 3 |
Unique Aglycone
AD19790
Formula: C14H12O2N8
Smiles:
O=C(NCC1=C[N]N=N1)c1ccc(C(=O)NCC2=C[N]N=N2)cc1| HBA: | 10 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 6 |
| MolWt: | 324.3 | Num_heavy_atoms: | 24 |
| TPSA: | 135.84 | NumAromaticRings: | 1 |
