Glycoside
GD069442
Name:
NoneFormula:
C16H18O6N2SSmiles:
Cc1nc(-c2cccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c2)cs1Aglycone:
Cc1nc(-c2cccc(N)c2)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: | -0.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 366.4 | Num_heavy_atoms: | 25 |
| TPSA: | 139.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD32947
Formula: C10H10N2S
Smiles:
Cc1nc(-c2cccc(N)c2)cs1| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 190.27 | Num_heavy_atoms: | 13 |
| TPSA: | 38.91 | NumAromaticRings: | 2 |
