Glycoside
GD057266
Name:
NoneFormula:
C13H21O8N3Smiles:
CC(=O)OCc1cn(CCO[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)nn1Aglycone:
CC(=O)OCc1cn(CCO)nn1Sugarmoiety:
OCC1OC(O)(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | -2.84 | Num_rotatable_bonds: | 8 |
| MolWt: | 347.32 | Num_heavy_atoms: | 24 |
| TPSA: | 156.39 | NumAromaticRings: | 1 |
Unique Aglycone
AD28757
Formula: C7H11O3N3
Smiles:
CC(=O)OCc1cn(CCO)nn1| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.57 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 185.18 | Num_heavy_atoms: | 13 |
| TPSA: | 77.24 | NumAromaticRings: | 1 |
