Glycoside
GD040045
Name:
[(2~{r},3~{s},4~{r},5~{r})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamateFormula:
C22H27O9N5SSmiles:
Nc1cc(CO)cc2ncn([C@H]3O[C@H](COS(=O)(=O)NC(=O)[C@H](N)Cc4ccc(O)cc4)[C@@H](O)[C@H]3O)c12Aglycone:
COS(=O)(=O)NC(=O)C(N)Cc1ccc(O)cc1.Nc1cc(CO)cc2c1[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.36 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 9 |
| MolWt: | 537.55 | Num_heavy_atoms: | 37 |
| TPSA: | 232.48 | NumAromaticRings: | 3 |
Unique Aglycone
AD03727
Formula: C10H14O5N2S
Smiles:
COS(=O)(=O)NC(=O)C(N)Cc1ccc(O)cc1| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 274.3 | Num_heavy_atoms: | 18 |
| TPSA: | 118.72 | NumAromaticRings: | 1 |
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 |
