Glycoside
GD015176
Name:
NoneFormula:
C16H18O9N4FPSmiles:
O=C(Nc1ccc(F)cc1)Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
COP(=O)(O)O.O=C(Nc1ccc(F)cc1)Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.31 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 460.31 | Num_heavy_atoms: | 31 |
| TPSA: | 192.47 | NumAromaticRings: | 2 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD10093
Formula: C11H9O2N4F
Smiles:
O=C(Nc1ccc(F)cc1)Nc1cc[nH]c(=O)n1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 248.22 | Num_heavy_atoms: | 18 |
| TPSA: | 86.88 | NumAromaticRings: | 2 |
