Glycoside
GD039828
Name:
[[(2~{r},3~{s},4~{r},5~{r})-5-[6-chloranyl-4-[[(1~{s})-1-(4-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acidFormula:
C21H24O9N4FP2ClSmiles:
C[C@@H](Nc1cc(Cl)nc2c1cnn2[C@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@H](O)[C@@H]1O)c1ccc(F)cc1Aglycone:
CC(Nc1cc(Cl)nc2c1C=N[N]2)c1ccc(F)cc1.COP(=O)(O)CP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 9 |
| MolWt: | 580.83 | Num_heavy_atoms: | 37 |
| TPSA: | 196.49 | NumAromaticRings: | 3 |
Unique Aglycone
AD02310
Formula: C2H8O6P2
Smiles:
COP(=O)(O)CP(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 190.03 | Num_heavy_atoms: | 10 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
AD22119
Formula: C15H11N4FCl
Smiles:
CC(Nc1cc(Cl)nc2c1C=N[N]2)c1ccc(F)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 289.72 | Num_heavy_atoms: | 20 |
| TPSA: | 51.38 | NumAromaticRings: | 2 |
