Glycoside
GD002067
Name:
NoneFormula:
C20H32O14N2S2Smiles:
NS(=O)(=O)c1ccc(CCNS(=O)(=O)[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1Aglycone:
NS(=O)(=O)c1ccc(CCN[S](=O)=O)cc1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.7 |
| AlogP: | -5.58 | Num_rotatable_bonds: | 10 |
| MolWt: | 588.61 | Num_heavy_atoms: | 38 |
| TPSA: | 275.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD02009
Formula: C8H11O4N2S2
Smiles:
NS(=O)(=O)c1ccc(CCN[S](=O)=O)cc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 263.32 | Num_heavy_atoms: | 16 |
| TPSA: | 106.33 | NumAromaticRings: | 1 |
