Glycoside
GD069488
Name:
NoneFormula:
C16H18O6N2SSmiles:
O=C(NCc1nc(-c2ccccc2)cs1)C(=O)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
NCc1nc(-c2ccccc2)cs1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 8 |
| MolWt: | 366.4 | Num_heavy_atoms: | 25 |
| TPSA: | 139.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD32959
Formula: C10H10N2S
Smiles:
NCc1nc(-c2ccccc2)cs1| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 190.27 | Num_heavy_atoms: | 13 |
| TPSA: | 38.91 | NumAromaticRings: | 2 |
