Glycoside
GD017272
Name:
NoneFormula:
C23H20O7N2Cl2Smiles:
O=C(O[C@@H]1[C@H](O)[C@H](O)O[C@H](CO)[C@H]1O)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12Aglycone:
O=C(O)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 483.3 | Num_heavy_atoms: | 32 |
| TPSA: | 134.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD12340
Formula: C17H10O2N2Cl2
Smiles:
O=C(O)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 321.16 | Num_heavy_atoms: | 21 |
| TPSA: | 55.12 | NumAromaticRings: | 3 |
