Glycoside
GD082521
Name:
NoneFormula:
C17H27O4N6SSmiles:
CS[C@H]1CN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C[C@@H]1[NH+](C)CAglycone:
CSC1CN(c2ncnc3c2N=C[N]3)CC1[NH+](C)CSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -2.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 411.51 | Num_heavy_atoms: | 28 |
| TPSA: | 121.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD37071
Formula: C12H18N6S
Smiles:
CSC1CN(c2ncnc3c2N=C[N]3)CC1[NH+](C)C| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 278.39 | Num_heavy_atoms: | 19 |
| TPSA: | 59.92 | NumAromaticRings: | 1 |
