Glycoside
GD097413
Name:
NoneFormula:
C21H22O8N2SSmiles:
O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12Aglycone:
NC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 462.48 | Num_heavy_atoms: | 32 |
| TPSA: | 158.32 | NumAromaticRings: | 3 |
Unique Aglycone
AD41424
Formula: C15H12O3N2S
Smiles:
NC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 300.34 | Num_heavy_atoms: | 21 |
| TPSA: | 82.16 | NumAromaticRings: | 3 |
