Glycoside
GD084441
Name:
NoneFormula:
C16H25O8NS2Smiles:
CCOCCS(=O)(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
CCOCCS(=O)(=O)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 9 |
| MolWt: | 423.51 | Num_heavy_atoms: | 27 |
| TPSA: | 145.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD37710
Formula: C10H15O3NS2
Smiles:
CCOCCS(=O)(=O)Nc1ccc(S)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 261.37 | Num_heavy_atoms: | 16 |
| TPSA: | 55.4 | NumAromaticRings: | 1 |
