Glycoside
GD089532
Name:
NoneFormula:
C13H19O9N5FPSmiles:
O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[PH](O)(O)O)[C@@H](O)[C@@H]1O)OCCFAglycone:
CO[PH](O)(O)O.O=C(Nc1ncnc2c1N=C[N]2)OCCFSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 7 |
| MolWt: | 439.29 | Num_heavy_atoms: | 29 |
| TPSA: | 201.54 | NumAromaticRings: | 2 |
Unique Aglycone
AD01852
Formula: CH7O4P
Smiles:
CO[PH](O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.04 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD31143
Formula: C8H7O2N5F
Smiles:
O=C(Nc1ncnc2c1N=C[N]2)OCCF| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 3 |
| MolWt: | 224.17 | Num_heavy_atoms: | 16 |
| TPSA: | 90.57 | NumAromaticRings: | 1 |
