Glycoside
GD050136
Name:
NoneFormula:
C13H18O7N2Smiles:
Cn1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1=OAglycone:
Cn1ccc(C(N)=O)cc1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -3.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 314.29 | Num_heavy_atoms: | 22 |
| TPSA: | 141.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD26516
Formula: C7H8O2N2
Smiles:
Cn1ccc(C(N)=O)cc1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 65.09 | NumAromaticRings: | 1 |
