Glycoside
GD011989
Name:
NoneFormula:
C11H14O7N2Smiles:
CC(=O)c1c[nH]c(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c1=OAglycone:
CC(=O)c1c[nH]c(=O)[nH]c1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -2.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 286.24 | Num_heavy_atoms: | 20 |
| TPSA: | 141.85 | NumAromaticRings: | 1 |
Unique Aglycone
AD09073
Formula: C6H6O3N2
Smiles:
CC(=O)c1c[nH]c(=O)[nH]c1=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 154.12 | Num_heavy_atoms: | 11 |
| TPSA: | 82.79 | NumAromaticRings: | 1 |
