Glycoside
GD089214
Name:
methyl 4-(5-{[3,4-dihydroxy-5-(methanesulfonamidomethyl)oxolan-2-yl]methyl}-1,2,4-oxadiazol-3-yl)benzoateFormula:
C17H21O8N3SSmiles:
COC(=O)c1ccc(-c2noc(C[C@@H]3O[C@H](CNS(C)(=O)=O)[C@@H](O)[C@H]3O)n2)cc1Aglycone:
CNS(C)(=O)=O.COC(=O)c1ccc(-c2noc(C)n2)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 7 |
| MolWt: | 427.44 | Num_heavy_atoms: | 29 |
| TPSA: | 161.08 | 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 |
AD38940
Formula: C11H10O3N2
Smiles:
COC(=O)c1ccc(-c2noc(C)n2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 218.21 | Num_heavy_atoms: | 16 |
| TPSA: | 65.22 | NumAromaticRings: | 2 |
