Glycoside
GD037358
Name:
NoneFormula:
C11H13O6N5FPSmiles:
C[C@@H]1O[C@H](n2cnc3c(N)nc(F)nc32)[C@H](O)[C@H]1OCP(=O)([O-])[O-]Aglycone:
Nc1nc(F)nc2c1N=C[N]2.O=P([O-])([O-])COSugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 361.23 | Num_heavy_atoms: | 24 |
| TPSA: | 171.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD00084
Formula: C5H3N5F
Smiles:
Nc1nc(F)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 0 |
| MolWt: | 152.11 | Num_heavy_atoms: | 11 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD20701
Formula: CH3O4P
Smiles:
O=P([O-])([O-])CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -2.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.0 | Num_heavy_atoms: | 6 |
| TPSA: | 83.42 | NumAromaticRings: | 0 |
