Glycoside
GD071800
Name:
NoneFormula:
C18H27O4N6Smiles:
C[N@H+]1CC[C@@]2(CCN(c3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2)C1Aglycone:
C[NH+]1CCC2(CCN(c3ncnc4c3N=C[N]4)C2)C1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | -2.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 391.45 | Num_heavy_atoms: | 28 |
| TPSA: | 121.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD33722
Formula: C13H18N6
Smiles:
C[NH+]1CCC2(CCN(c3ncnc4c3N=C[N]4)C2)C1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 258.33 | Num_heavy_atoms: | 19 |
| TPSA: | 59.92 | NumAromaticRings: | 1 |
