Glycoside
GD069059
Name:
NoneFormula:
C15H21O7NSSmiles:
COCC(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1Aglycone:
COCC(=O)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 359.4 | Num_heavy_atoms: | 24 |
| TPSA: | 128.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD32731
Formula: C9H11O2NS
Smiles:
COCC(=O)Nc1ccc(S)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 197.26 | Num_heavy_atoms: | 13 |
| TPSA: | 38.33 | NumAromaticRings: | 1 |
