Glycoside
GD155179
Name:
NoneFormula:
C12H16O8N2Smiles:
O=C(O)c1cc(NC2OC(CO)C(O)C2O)cc([NH+]([O-])O)c1Aglycone:
Nc1cc(C(=O)O)cc([NH+]([O-])O)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | -2.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 316.27 | Num_heavy_atoms: | 22 |
| TPSA: | 166.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD56920
Formula: C7H8O4N2
Smiles:
Nc1cc(C(=O)O)cc([NH+]([O-])O)c1| HBA: | 6 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 111.05 | NumAromaticRings: | 1 |
