Glycoside
GD098640
Name:
NoneFormula:
C16H22O8NSBrSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2ccc(Br)cc2S(C)(=O)=O)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CS(=O)(=O)c1cc(Br)ccc1C(=O)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 468.32 | Num_heavy_atoms: | 27 |
| TPSA: | 142.39 | NumAromaticRings: | 1 |
Unique Aglycone
AD41954
Formula: C10H12O4NSBr
Smiles:
CS(=O)(=O)c1cc(Br)ccc1C(=O)NCCO| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 322.18 | Num_heavy_atoms: | 17 |
| TPSA: | 83.47 | NumAromaticRings: | 1 |
