Glycoside
GD025796
Name:
NoneFormula:
C14H18O6N4S2Smiles:
Cc1ccc(S(=O)(=O)NC[C@@H]2O[C@H](n3ccc(N)nc3=O)[C@H](O)[C@H]2O)s1Aglycone:
CNS(=O)(=O)c1ccc(C)s1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 402.45 | Num_heavy_atoms: | 26 |
| TPSA: | 156.77 | NumAromaticRings: | 2 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD17070
Formula: C6H9O2NS2
Smiles:
CNS(=O)(=O)c1ccc(C)s1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 191.28 | Num_heavy_atoms: | 11 |
| TPSA: | 46.17 | NumAromaticRings: | 1 |
