Glycoside
GD040051
Name:
(3~{s})-3-azanyl-4-[[(2~{r},3~{s},4~{r},5~{r})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acidFormula:
C17H23O10N5SSmiles:
Nc1cc(CO)cc2ncn([C@H]3O[C@H](COS(=O)(=O)NC(=O)[C@@H](N)CC(=O)O)[C@H](O)[C@@H]3O)c12Aglycone:
COS(=O)(=O)NC(=O)C(N)CC(=O)O.Nc1cc(CO)cc2c1[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.47 |
| AlogP: | -3.09 | Num_rotatable_bonds: | 9 |
| MolWt: | 489.46 | Num_heavy_atoms: | 33 |
| TPSA: | 249.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD12774
Formula: C5H10O6N2S
Smiles:
COS(=O)(=O)NC(=O)C(N)CC(=O)O| HBA: | 8 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -2.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 226.21 | Num_heavy_atoms: | 14 |
| TPSA: | 135.79 | NumAromaticRings: | 0 |
AD24643
Formula: C8H8ON3
Smiles:
Nc1cc(CO)cc2c1[N]C=N2| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 162.17 | Num_heavy_atoms: | 12 |
| TPSA: | 72.71 | NumAromaticRings: | 1 |
