Glycoside
GD081122
Name:
NoneFormula:
C15H23O8NS2Smiles:
COCCS(=O)(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1Aglycone:
COCCS(=O)(=O)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 409.48 | Num_heavy_atoms: | 26 |
| TPSA: | 145.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD36579
Formula: C9H13O3NS2
Smiles:
COCCS(=O)(=O)Nc1ccc(S)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 247.34 | Num_heavy_atoms: | 15 |
| TPSA: | 55.4 | NumAromaticRings: | 1 |
