Glycoside
GD014030
Name:
NoneFormula:
C17H21O7N2S2BrSmiles:
Cc1nc(NS(=O)(=O)c2ccc(Br)cc2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
Cc1nc(NS(=O)(=O)c2ccc(Br)cc2)sc1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 509.4 | Num_heavy_atoms: | 29 |
| TPSA: | 149.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD10390
Formula: C11H11O2N2S2Br
Smiles:
Cc1nc(NS(=O)(=O)c2ccc(Br)cc2)sc1C| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 347.26 | Num_heavy_atoms: | 18 |
| TPSA: | 59.06 | NumAromaticRings: | 2 |
