Glycoside
GD091045
Name:
NoneFormula:
C19H25O4N7SSmiles:
CCc1cnc(N2CCN(c3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)CC2)s1Aglycone:
CCc1cnc(N2CCN(c3ncnc4c3N=C[N]4)CC2)s1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.58 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 447.52 | Num_heavy_atoms: | 31 |
| TPSA: | 132.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD39669
Formula: C14H16N7S
Smiles:
CCc1cnc(N2CCN(c3ncnc4c3N=C[N]4)CC2)s1| HBA: | 7 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.43 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 314.4 | Num_heavy_atoms: | 22 |
| TPSA: | 71.61 | NumAromaticRings: | 2 |
