Glycoside
GD025204
Name:
NoneFormula:
C21H30O14N4S2Smiles:
NS(=O)(=O)c1ccc(-n2cc(CS(=O)(=O)[C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn2)cc1Aglycone:
NS(=O)(=O)c1ccc(-n2cc(C[S](=O)=O)nn2)cc1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.62 |
| AlogP: | -5.55 | Num_rotatable_bonds: | 9 |
| MolWt: | 626.62 | Num_heavy_atoms: | 41 |
| TPSA: | 294.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD12290
Formula: C9H9O4N4S2
Smiles:
NS(=O)(=O)c1ccc(-n2cc(C[S](=O)=O)nn2)cc1| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 301.33 | Num_heavy_atoms: | 19 |
| TPSA: | 125.01 | NumAromaticRings: | 2 |
