Glycoside
GD057461
Name:
NoneFormula:
C12H17O6NS2Smiles:
CSc1ccc(C(=O)N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)s1Aglycone:
CSc1ccc(C(N)=O)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 335.4 | Num_heavy_atoms: | 21 |
| TPSA: | 119.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD28814
Formula: C6H7ONS2
Smiles:
CSc1ccc(C(N)=O)s1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 2 |
| MolWt: | 173.26 | Num_heavy_atoms: | 10 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
