Glycoside
GD055771
Name:
NoneFormula:
C12H17O7N3SSmiles:
CSc1nc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)cc(=O)n1CAglycone:
CSc1nc(N)cc(=O)n1CSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -2.92 | Num_rotatable_bonds: | 7 |
| MolWt: | 347.35 | Num_heavy_atoms: | 23 |
| TPSA: | 161.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD25449
Formula: C6H9ON3S
Smiles:
CSc1nc(N)cc(=O)n1C| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 171.22 | Num_heavy_atoms: | 11 |
| TPSA: | 60.91 | NumAromaticRings: | 1 |
