Glycoside
GD015442
Name:
NoneFormula:
C13H18O5N6SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)C2CC2)[C@H](O)[C@H]1OAglycone:
CNS(=O)(=O)C1CC1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 370.39 | Num_heavy_atoms: | 25 |
| TPSA: | 165.48 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD07935
Formula: C4H9O2NS
Smiles:
CNS(=O)(=O)C1CC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 135.19 | Num_heavy_atoms: | 8 |
| TPSA: | 46.17 | NumAromaticRings: | 0 |
