Glycoside
GD088551
Name:
NoneFormula:
C13H17O7N2ISmiles:
COc1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)nc1IAglycone:
COc1ccc(C(N)=O)nc1ISugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 440.19 | Num_heavy_atoms: | 23 |
| TPSA: | 141.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD38742
Formula: C7H7O2N2I
Smiles:
COc1ccc(C(N)=O)nc1I| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 2 |
| MolWt: | 278.05 | Num_heavy_atoms: | 12 |
| TPSA: | 65.21 | NumAromaticRings: | 1 |
