Glycoside
GD010224
Name:
NoneFormula:
C13H18O6N6SSmiles:
Nc1nc(O)c2ncn([C@@H]3O[C@H](CNS(=O)(=O)C4CC4)[C@H](O)[C@H]3O)c2n1Aglycone:
CNS(=O)(=O)C1CC1.Nc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -2.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 386.39 | Num_heavy_atoms: | 26 |
| TPSA: | 185.71 | NumAromaticRings: | 2 |
Unique Aglycone
AD00080
Formula: C5H4ON5
Smiles:
Nc1nc(O)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.49 | 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 |
