Glycoside
GD115942
Name:
N-[(3,4-dihydroxy-5-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}oxolan-2-yl)methyl]methanesulfonamideFormula:
C14H18O6N4SSmiles:
CS(=O)(=O)NCC1OC(Cc2nc(-c3ccncc3)no2)C(O)C1OAglycone:
CNS(C)(=O)=O.Cc1nc(-c2ccncc2)no1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 6 |
| MolWt: | 370.39 | Num_heavy_atoms: | 25 |
| TPSA: | 147.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD05521
Formula: C2H7O2NS
Smiles:
CNS(C)(=O)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 109.15 | Num_heavy_atoms: | 6 |
| TPSA: | 46.17 | NumAromaticRings: | 0 |
AD45951
Formula: C8H7ON3
Smiles:
Cc1nc(-c2ccncc2)no1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 161.16 | Num_heavy_atoms: | 12 |
| TPSA: | 51.81 | NumAromaticRings: | 2 |
