Glycoside
GD033212
Name:
NoneFormula:
C23H18O6N2Cl2Smiles:
O=C(Nc1ccc(Cl)cc1)c1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c2ccc(Cl)cc2c1=OAglycone:
O=C(Nc1ccc(Cl)cc1)c1c[nH]c2ccc(Cl)cc2c1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.24 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 465.29 | Num_heavy_atoms: | 31 |
| TPSA: | 121.02 | NumAromaticRings: | 3 |
Unique Aglycone
AD07296
Formula: C18H10O2N2Cl2
Smiles:
O=C(Nc1ccc(Cl)cc1)c1c[nH]c2ccc(Cl)cc2c1=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 333.17 | Num_heavy_atoms: | 22 |
| TPSA: | 61.96 | NumAromaticRings: | 3 |
