Glycoside
GD095766
Name:
NoneFormula:
C19H24O7N4SSmiles:
C#CCN(Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1)S(=O)(=O)c1ccc(C)cc1Aglycone:
C#CCN(CC1=C[N]N=N1)S(=O)(=O)c1ccc(C)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 452.49 | Num_heavy_atoms: | 31 |
| TPSA: | 158.24 | NumAromaticRings: | 2 |
Unique Aglycone
AD40816
Formula: C13H13O2N4S
Smiles:
C#CCN(CC1=C[N]N=N1)S(=O)(=O)c1ccc(C)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.23 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 289.34 | Num_heavy_atoms: | 20 |
| TPSA: | 76.2 | NumAromaticRings: | 1 |
