Glycoside
GD030398
Name:
NoneFormula:
C27H33O4N8F3Smiles:
CC(C)N(C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)[C@H]1C[C@@H](CCc2nc3cc(OC(F)(F)F)ccc3[nH]2)C1Aglycone:
CC(C)N(C)C1CC(CCc2nc3cc(OC(F)(F)F)ccc3[nH]2)C1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 9 |
| MolWt: | 590.61 | Num_heavy_atoms: | 42 |
| TPSA: | 160.46 | 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 |
AD15926
Formula: C18H24ON3F3
Smiles:
CC(C)N(C)C1CC(CCc2nc3cc(OC(F)(F)F)ccc3[nH]2)C1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.61 |
| AlogP: | 4.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 355.4 | Num_heavy_atoms: | 25 |
| TPSA: | 41.15 | NumAromaticRings: | 2 |
