Glycoside
GD091228
Name:
NoneFormula:
C17H22O9NClSSmiles:
COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1OAglycone:
COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 7 |
| MolWt: | 439.87 | Num_heavy_atoms: | 28 |
| TPSA: | 151.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD39776
Formula: C11H12O5NClS
Smiles:
COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCCO| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 293.73 | Num_heavy_atoms: | 18 |
| TPSA: | 92.7 | NumAromaticRings: | 1 |
