Glycoside
GD054160
Name:
NoneFormula:
C15H22O7N2Smiles:
CC(C)n1ccc(C(=O)N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1=OAglycone:
CC(C)n1ccc(C(N)=O)cc1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -2.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 342.35 | Num_heavy_atoms: | 24 |
| TPSA: | 141.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD27606
Formula: C9H12O2N2
Smiles:
CC(C)n1ccc(C(N)=O)cc1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.21 | Num_heavy_atoms: | 13 |
| TPSA: | 65.09 | NumAromaticRings: | 1 |
