Glycoside
GD010182
Name:
NoneFormula:
C17H17O5N2ClSSmiles:
O=C(NCc1ccccc1Cl)c1csc([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)n1Aglycone:
O=C(NCc1ccccc1Cl)c1cscn1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 5 |
| MolWt: | 384.84 | Num_heavy_atoms: | 25 |
| TPSA: | 111.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD07906
Formula: C12H9ON2ClS
Smiles:
O=C(NCc1ccccc1Cl)c1cscn1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 252.73 | Num_heavy_atoms: | 16 |
| TPSA: | 41.99 | NumAromaticRings: | 2 |
