Glycoside
GD003688
Name:
NoneFormula:
C15H20O7N4S2Smiles:
NS(=O)(=O)c1ccc(-n2cc(CS[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1Aglycone:
NS(=O)(=O)c1ccc(-n2cc(CS)nn2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | -2.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 432.48 | Num_heavy_atoms: | 28 |
| TPSA: | 181.02 | NumAromaticRings: | 2 |
Unique Aglycone
AD03315
Formula: C9H10O2N4S2
Smiles:
NS(=O)(=O)c1ccc(-n2cc(CS)nn2)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 270.34 | Num_heavy_atoms: | 17 |
| TPSA: | 90.87 | NumAromaticRings: | 2 |
