Glycoside
GD031947
Name:
NoneFormula:
C24H29O14N9F3P3Smiles:
CC(=Cc1ccc(C2(C(F)(F)F)N=N2)cc1O)C(=O)NCCNP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)NCCNC(=O)C(C)=Cc1ccc(C2(C(F)(F)F)N=N2)cc1O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.42 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 15 |
| MolWt: | 817.46 | Num_heavy_atoms: | 53 |
| TPSA: | 344.98 | NumAromaticRings: | 3 |
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 |
AD20534
Formula: C15H20O11N4F3P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)NCCNC(=O)C(C)=Cc1ccc(C2(C(F)(F)F)N=N2)cc1O| HBA: | 15 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 12 |
| MolWt: | 582.26 | Num_heavy_atoms: | 36 |
| TPSA: | 225.67 | NumAromaticRings: | 1 |
