Glycoside
GD013359
Name:
NoneFormula:
C18H22O8N2Smiles:
CCC1(c2ccccc2)C(=O)NC(=O)N([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C1=OAglycone:
CCC1(c2ccccc2)C(=O)NC(=O)NC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 4 |
| MolWt: | 394.38 | Num_heavy_atoms: | 28 |
| TPSA: | 156.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD09978
Formula: C12H12O3N2
Smiles:
CCC1(c2ccccc2)C(=O)NC(=O)NC1=O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 232.24 | Num_heavy_atoms: | 17 |
| TPSA: | 75.27 | NumAromaticRings: | 1 |
