Glycoside
GD097456
Name:
NoneFormula:
C19H22O7N4SSmiles:
Cc1ccc(S(=O)(=O)n2ccc3c(N[C@H]4[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]4O)ncnc32)cc1Aglycone:
Cc1ccc(S(=O)(=O)n2ccc3c(N)ncnc32)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 450.47 | Num_heavy_atoms: | 31 |
| TPSA: | 167.03 | NumAromaticRings: | 3 |
Unique Aglycone
AD41450
Formula: C13H12O2N4S
Smiles:
Cc1ccc(S(=O)(=O)n2ccc3c(N)ncnc32)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 288.33 | Num_heavy_atoms: | 20 |
| TPSA: | 90.87 | NumAromaticRings: | 3 |
