Glycoside
GD032502
Name:
NoneFormula:
C19H20O6N3ClSmiles:
CC(=O)c1cnc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)nn1Aglycone:
CC(=O)c1cnc(Cc2ccccc2Cl)nn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 409.83 | Num_heavy_atoms: | 28 |
| TPSA: | 145.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD20843
Formula: C13H10ON3Cl
Smiles:
CC(=O)c1cnc(Cc2ccccc2Cl)nn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 247.69 | Num_heavy_atoms: | 17 |
| TPSA: | 55.74 | NumAromaticRings: | 2 |
