Glycoside
GD005122
Name:
NoneFormula:
C27H24O8N3FCl2Smiles:
OCC(O)C(OC1OC(CO)C(O)C(O)C1O)c1nn(-c2ccc(F)cc2)c2nc3cc(Cl)c(Cl)cc3cc12Aglycone:
OCC(O)C(O)c1nn(-c2ccc(F)cc2)c2nc3cc(Cl)c(Cl)cc3cc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 584.38 | Num_heavy_atoms: | 39 |
| TPSA: | 170.55 | NumAromaticRings: | 4 |
Unique Aglycone
AD04383
Formula: C21H14O3N3FCl2
Smiles:
OCC(O)C(O)c1nn(-c2ccc(F)cc2)c2nc3cc(Cl)c(Cl)cc3cc12| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.16 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 422.24 | Num_heavy_atoms: | 28 |
| TPSA: | 91.4 | NumAromaticRings: | 4 |
