Glycoside
GD081054
Name:
NoneFormula:
C18H23O8N3Smiles:
O=C(OCc1cn(CCO[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)nn1)c1ccccc1Aglycone:
O=C(OCc1cn(CCO)nn1)c1ccccc1Sugarmoiety:
OCC1OC(O)(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 9 |
| MolWt: | 409.4 | Num_heavy_atoms: | 29 |
| TPSA: | 156.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD36564
Formula: C12H13O3N3
Smiles:
O=C(OCc1cn(CCO)nn1)c1ccccc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 247.25 | Num_heavy_atoms: | 18 |
| TPSA: | 77.24 | NumAromaticRings: | 2 |
