Glycoside
GD069562
Name:
NoneFormula:
C17H19O6NSSmiles:
O=C(NCc1cccc(-c2cccs2)c1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
NCc1cccc(-c2cccs2)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 8 |
| MolWt: | 365.41 | Num_heavy_atoms: | 25 |
| TPSA: | 127.09 | NumAromaticRings: | 2 |
Unique Aglycone
AD32975
Formula: C11H11NS
Smiles:
NCc1cccc(-c2cccs2)c1| HBA: | 1 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 189.28 | Num_heavy_atoms: | 13 |
| TPSA: | 26.02 | NumAromaticRings: | 2 |
