Glycoside
GD018963
Name:
NoneFormula:
C28H26O4N7F3Smiles:
Nc1ncnc2c1nc(NCc1ccc3ncccc3c1)n2[C@@H]1O[C@H](COCc2ccc(C(F)(F)F)cc2)[C@H](O)[C@H]1OAglycone:
COCc1ccc(C(F)(F)F)cc1.Nc1ncnc2c1N=C(NCc1ccc3ncccc3c1)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 8 |
| MolWt: | 581.56 | Num_heavy_atoms: | 42 |
| TPSA: | 153.46 | NumAromaticRings: | 5 |
Unique Aglycone
AD12413
Formula: C15H12N7
Smiles:
Nc1ncnc2c1N=C(NCc1ccc3ncccc3c1)[N]2| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 290.31 | Num_heavy_atoms: | 22 |
| TPSA: | 103.18 | NumAromaticRings: | 3 |
AD13291
Formula: C9H9OF3
Smiles:
COCc1ccc(C(F)(F)F)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 190.16 | Num_heavy_atoms: | 13 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
