Glycoside
GD014542
Name:
NoneFormula:
C14H15O4N2ClSSmiles:
CSc1nc2ccc(Cl)cc2n1C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CSC1=Nc2ccc(Cl)cc2[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.46 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.79 | Num_heavy_atoms: | 21 |
| TPSA: | 87.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD10679
Formula: C9H6N2ClS
Smiles:
CSC1=Nc2ccc(Cl)cc2[N]1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 197.67 | Num_heavy_atoms: | 12 |
| TPSA: | 26.46 | NumAromaticRings: | 1 |
