Glycoside
GD100219
Name:
NoneFormula:
C21H22O9N2SSmiles:
O=S(=O)(Nc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1ccc(-c2cnco2)cc1Aglycone:
O=S(=O)(Nc1ccc(O)cc1)c1ccc(-c2cnco2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 478.48 | Num_heavy_atoms: | 33 |
| TPSA: | 171.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD42353
Formula: C15H12O4N2S
Smiles:
O=S(=O)(Nc1ccc(O)cc1)c1ccc(-c2cnco2)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 4 |
| MolWt: | 316.34 | Num_heavy_atoms: | 22 |
| TPSA: | 92.43 | NumAromaticRings: | 3 |
