Glycoside
GD062714
Name:
NoneFormula:
C13H18O6N3ClSSmiles:
CSc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(Cl)c(=O)n1CAglycone:
CSc1nc(N)c(Cl)c(=O)n1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 367.81 | Num_heavy_atoms: | 23 |
| TPSA: | 137.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD29406
Formula: C7H8ON3ClS
Smiles:
CSc1nc(N)c(Cl)c(=O)n1C| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 205.67 | Num_heavy_atoms: | 12 |
| TPSA: | 60.91 | NumAromaticRings: | 1 |
