Glycoside
GD088454
Name:
NoneFormula:
C16H24O8N2S2Smiles:
CN(CC(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1)S(C)(=O)=OAglycone:
CN(CC(=O)Nc1ccc(S)cc1)S(C)(=O)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 7 |
| MolWt: | 436.51 | Num_heavy_atoms: | 28 |
| TPSA: | 156.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD38692
Formula: C10H14O3N2S2
Smiles:
CN(CC(=O)Nc1ccc(S)cc1)S(C)(=O)=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.37 | Num_heavy_atoms: | 17 |
| TPSA: | 66.48 | NumAromaticRings: | 1 |
