Glycoside
GD009699
Name:
NoneFormula:
C18H20O6N6Smiles:
O=[N+]([O-])c1ccc(CCNc2ncnc3c2ncn3C2O[C@H](CO)[C@H](O)[C@H]2O)cc1Aglycone:
O=[N+]([O-])c1ccc(CCNc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 7 |
| MolWt: | 416.39 | Num_heavy_atoms: | 30 |
| TPSA: | 168.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD07582
Formula: C13H11O2N6
Smiles:
O=[N+]([O-])c1ccc(CCNc2ncnc3c2N=C[N]3)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 5 |
| MolWt: | 283.27 | Num_heavy_atoms: | 21 |
| TPSA: | 107.41 | NumAromaticRings: | 2 |
