Glycoside

GD080128
Name:
NoneFormula:
C13H16O7N4S2Smiles:
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1NS(=O)(=O)c1cccs1Aglycone:
NC(=O)C1=C(NS(=O)(=O)c2cccs2)[N]C=N1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 3 |
HBD: | 6 | FractionCSP3: | 0.38 |
AlogP: | -1.54 | Num_rotatable_bonds: | 6 |
MolWt: | 404.43 | Num_heavy_atoms: | 26 |
TPSA: | 177.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD36412
Formula: C8H7O3N4S2
Smiles:
NC(=O)C1=C(NS(=O)(=O)c2cccs2)[N]C=N1HBA: | 7 | RingCount: | 2 |
HBD: | 3 | FractionCSP3: | 0.0 |
AlogP: | -0.67 | Num_rotatable_bonds: | 4 |
MolWt: | 271.3 | Num_heavy_atoms: | 17 |
TPSA: | 115.72 | NumAromaticRings: | 1 |