Glycoside
GD033019
Name:
NoneFormula:
C20H23O9N5FP2ClSmiles:
C[C@H](Nc1nc(Cl)nc2c1cnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@H](O)[C@H]1O)c1ccc(F)cc1Aglycone:
CC(Nc1nc(Cl)nc2c1C=N[N]2)c1ccc(F)cc1.COP(=O)(O)CP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 9 |
| MolWt: | 581.82 | Num_heavy_atoms: | 37 |
| TPSA: | 209.38 | 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 |
AD21106
Formula: C14H10N5FCl
Smiles:
CC(Nc1nc(Cl)nc2c1C=N[N]2)c1ccc(F)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 290.71 | Num_heavy_atoms: | 20 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
