Glycoside
GD018207
Name:
NoneFormula:
C26H24O8N4Cl2Smiles:
OCC(O)C(OC1OC(CO)C(O)C(O)C1O)c1nn(-c2ccc(Cl)cc2)c2nc3cc(Cl)ccc3nc12Aglycone:
OCC(O)C(O)c1nn(-c2ccc(Cl)cc2)c2nc3cc(Cl)ccc3nc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 7 |
| MolWt: | 567.38 | Num_heavy_atoms: | 38 |
| TPSA: | 183.44 | NumAromaticRings: | 4 |
Unique Aglycone
AD12886
Formula: C20H14O3N4Cl2
Smiles:
OCC(O)C(O)c1nn(-c2ccc(Cl)cc2)c2nc3cc(Cl)ccc3nc12| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 405.24 | Num_heavy_atoms: | 27 |
| TPSA: | 104.29 | NumAromaticRings: | 4 |
