Glycoside
GD000694
Name:
NoneFormula:
C17H24O9N4S2Smiles:
Nc1nc(=O)n(C2CCCS2)cc1C#CCNS(=O)(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)COAglycone:
Nc1nc(=O)n(C2CCCS2)cc1C#CCN[S](=O)=OSugarmoiety:
O=C(O)C(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.59 |
| AlogP: | -3.92 | Num_rotatable_bonds: | 8 |
| MolWt: | 492.53 | Num_heavy_atoms: | 32 |
| TPSA: | 225.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD00747
Formula: C11H13O3N4S2
Smiles:
Nc1nc(=O)n(C2CCCS2)cc1C#CCN[S](=O)=O| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 313.38 | Num_heavy_atoms: | 20 |
| TPSA: | 107.08 | NumAromaticRings: | 1 |
