Glycoside
GD095759
Name:
NoneFormula:
C19H24O7N4SSmiles:
C#CCN(Cc1cn(C[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@H]2O)nn1)S(=O)(=O)c1ccc(C)cc1Aglycone:
C#CCN(Cc1cn(C)nn1)S(=O)(=O)c1ccc(C)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 452.49 | Num_heavy_atoms: | 31 |
| TPSA: | 158.24 | NumAromaticRings: | 2 |
Unique Aglycone
AD40815
Formula: C14H16O2N4S
Smiles:
C#CCN(Cc1cn(C)nn1)S(=O)(=O)c1ccc(C)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 5 |
| MolWt: | 304.38 | Num_heavy_atoms: | 21 |
| TPSA: | 68.09 | NumAromaticRings: | 2 |
