Glycoside
GD008069
Name:
NoneFormula:
C18H21O7N3SSmiles:
CC(=O)Nc1ccc(NC(=O)c2csc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)n2)cc1Aglycone:
CC(=O)Nc1ccc(NC(=O)c2cscn2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 423.45 | Num_heavy_atoms: | 29 |
| TPSA: | 161.24 | NumAromaticRings: | 2 |
Unique Aglycone
AD06493
Formula: C12H11O2N3S
Smiles:
CC(=O)Nc1ccc(NC(=O)c2cscn2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 261.31 | Num_heavy_atoms: | 18 |
| TPSA: | 71.09 | NumAromaticRings: | 2 |
