Glycoside
GD026264
Name:
NoneFormula:
C22H18O6N2Cl2Smiles:
O=C(OC[C@@H]1O[C@H](O)[C@H](O)[C@H]1O)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12Aglycone:
COC(=O)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 453.28 | Num_heavy_atoms: | 30 |
| TPSA: | 114.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD08272
Formula: C18H12O2N2Cl2
Smiles:
COC(=O)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 335.19 | Num_heavy_atoms: | 22 |
| TPSA: | 44.12 | NumAromaticRings: | 3 |
