Glycoside
GD040047
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-4-methyl-pentanoyl]sulfamateFormula:
C19H29O8N5SSmiles:
CC(C)C[C@@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H](n2cnc3cc(CO)cc(N)c32)[C@H](O)[C@@H]1OAglycone:
COS(=O)(=O)NC(=O)C(N)CC(C)C.Nc1cc(CO)cc2c1[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.58 |
| AlogP: | -1.52 | Num_rotatable_bonds: | 9 |
| MolWt: | 487.54 | Num_heavy_atoms: | 33 |
| TPSA: | 212.25 | NumAromaticRings: | 2 |
Unique Aglycone
AD02682
Formula: C7H16O4N2S
Smiles:
COS(=O)(=O)NC(=O)C(N)CC(C)C| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 224.28 | Num_heavy_atoms: | 14 |
| TPSA: | 98.49 | 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 |
