Glycoside
GD090842
Name:
NoneFormula:
C19H22O7N2Cl2Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 437.28 | Num_heavy_atoms: | 28 |
| TPSA: | 137.35 | NumAromaticRings: | 1 |
Unique Aglycone
AD39547
Formula: C13H12O3N2Cl2
Smiles:
O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NCCO| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 291.13 | Num_heavy_atoms: | 18 |
| TPSA: | 78.43 | NumAromaticRings: | 1 |
