Glycoside
GD017389
Name:
NoneFormula:
C27H24O4N7F3Smiles:
Nc1ncnc2c1nc(NCc1ccc3ncccc3c1)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(NCc1ccc3ncccc3c1)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 8 |
| MolWt: | 567.53 | Num_heavy_atoms: | 41 |
| TPSA: | 153.46 | NumAromaticRings: | 5 |
Unique Aglycone
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 |
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 |
