Glycoside
GD037899
Name:
2-({[1-(beta-d-glucopyranosyl)-1h-1,2,3-triazol-4-yl]methyl}[(1-phenyl-1h-1,2,3-triazol-4-yl)methyl]amino)-5-sulfamoyl-1,3,4-thiadiazoleFormula:
C20H24O7N10S2Smiles:
NS(=O)(=O)c1nnc(N(Cc2cn(-c3ccccc3)nn2)Cc2cn([C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)nn2)s1Aglycone:
NS(=O)(=O)c1nnc(N(CC2=C[N]N=N2)Cc2cn(-c3ccccc3)nn2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | -2.46 | Num_rotatable_bonds: | 9 |
| MolWt: | 580.61 | Num_heavy_atoms: | 39 |
| TPSA: | 240.75 | NumAromaticRings: | 4 |
Unique Aglycone
AD23770
Formula: C14H13O2N10S2
Smiles:
NS(=O)(=O)c1nnc(N(CC2=C[N]N=N2)Cc2cn(-c3ccccc3)nn2)s1| HBA: | 12 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 417.46 | Num_heavy_atoms: | 28 |
| TPSA: | 158.71 | NumAromaticRings: | 3 |
