Glycoside
GD037233
Name:
NoneFormula:
C28H32O3N8F3ClSmiles:
CC(C)N(C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)[C@H]1C[C@@H](CCc2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)C1Aglycone:
CC(C)N(C)C1CC(CCc2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)C1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 8 |
| MolWt: | 609.05 | Num_heavy_atoms: | 42 |
| TPSA: | 151.23 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD23469
Formula: C19H23N3F3Cl
Smiles:
CC(C)N(C)C1CC(CCc2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)C1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.61 |
| AlogP: | 5.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 373.85 | Num_heavy_atoms: | 25 |
| TPSA: | 31.92 | NumAromaticRings: | 2 |
