Glycoside
GD104667
Name:
NoneFormula:
C27H25O8N3Cl2Smiles:
COC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)cc1Aglycone:
COC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1ccc(O)cc1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 566.39 | Num_heavy_atoms: | 38 |
| TPSA: | 159.47 | NumAromaticRings: | 3 |
Unique Aglycone
AD44007
Formula: C19H12O3N2Cl2
Smiles:
COC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1ccc(O)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 4.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 363.2 | Num_heavy_atoms: | 24 |
| TPSA: | 71.45 | NumAromaticRings: | 3 |
