Glycoside
GD120485
Name:
NoneFormula:
C15H20O10N2Smiles:
CC(O)=Nc1cc([NH+]([O-])O)cc(C)c1OC1OC(C(=O)O)C(O)C(O)C1OAglycone:
CC(O)=Nc1cc([NH+]([O-])O)cc(C)c1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | -1.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 388.33 | Num_heavy_atoms: | 27 |
| TPSA: | 196.77 | NumAromaticRings: | 1 |
Unique Aglycone
AD48410
Formula: C9H12O4N2
Smiles:
CC(O)=Nc1cc([NH+]([O-])O)cc(C)c1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.22 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 100.55 | NumAromaticRings: | 1 |
