Glycoside
GD065740
Name:
NoneFormula:
C14H15O6N3SSmiles:
O=C(Nc1cc(-c2ccncn2)cs1)C(=O)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
Nc1cc(-c2ccncn2)cs1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 353.36 | Num_heavy_atoms: | 24 |
| TPSA: | 152.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD31626
Formula: C8H7N3S
Smiles:
Nc1cc(-c2ccncn2)cs1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 1 |
| MolWt: | 177.23 | Num_heavy_atoms: | 12 |
| TPSA: | 51.8 | NumAromaticRings: | 2 |
