Glycoside
GD091322
Name:
NoneFormula:
C19H23O7N3SSmiles:
CC(=O)c1nc(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cc2)cn1CAglycone:
CC(=O)c1nc(C(=O)Nc2ccc(S)cc2)cn1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 437.47 | Num_heavy_atoms: | 30 |
| TPSA: | 154.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD39838
Formula: C13H13O2N3S
Smiles:
CC(=O)c1nc(C(=O)Nc2ccc(S)cc2)cn1C| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 275.33 | Num_heavy_atoms: | 19 |
| TPSA: | 63.99 | NumAromaticRings: | 2 |
