Glycoside
GD082308
Name:
NoneFormula:
C17H25O9NSSmiles:
COc1ccc(C(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1S(C)(=O)=OAglycone:
COc1ccc(C(=O)NCCO)cc1S(C)(=O)=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 419.45 | Num_heavy_atoms: | 28 |
| TPSA: | 151.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD36970
Formula: C11H15O5NS
Smiles:
COc1ccc(C(=O)NCCO)cc1S(C)(=O)=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 273.31 | Num_heavy_atoms: | 18 |
| TPSA: | 92.7 | NumAromaticRings: | 1 |
