Glycoside
GD097053
Name:
NoneFormula:
C18H25O7N3S2Smiles:
Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1Aglycone:
Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 459.55 | Num_heavy_atoms: | 30 |
| TPSA: | 154.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD41250
Formula: C12H15O2N3S2
Smiles:
Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(S)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 297.4 | Num_heavy_atoms: | 19 |
| TPSA: | 63.99 | NumAromaticRings: | 2 |
