Glycoside
GD015218
Name:
NoneFormula:
C26H21O4N6F3Cl2Smiles:
Nc1ncnc2c1nc(NCc1ccc(Cl)c(Cl)c1)n2[C@@H]1O[C@H](COCc2cc(F)c(F)c(F)c2)[C@H](O)[C@H]1OAglycone:
COCc1cc(F)c(F)c(F)c1.Nc1ncnc2c1N=C(NCc1ccc(Cl)c(Cl)c1)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 8 |
| MolWt: | 585.37 | Num_heavy_atoms: | 39 |
| TPSA: | 140.57 | NumAromaticRings: | 4 |
Unique Aglycone
AD02825
Formula: C14H9N6Cl2
Smiles:
Nc1ncnc2c1N=C(NCc1ccc(Cl)c(Cl)c1)[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 308.15 | Num_heavy_atoms: | 20 |
| TPSA: | 90.29 | NumAromaticRings: | 2 |
AD11080
Formula: C8H7OF3
Smiles:
COCc1cc(F)c(F)c(F)c1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 176.14 | Num_heavy_atoms: | 12 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
