Glycoside
GD026450
Name:
NoneFormula:
C11H16O14N2FP3Smiles:
NC(=O)c1nccc([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]2O)c1FAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.NC(=O)c1ncccc1FSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.45 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 9 |
| MolWt: | 512.17 | Num_heavy_atoms: | 31 |
| TPSA: | 265.49 | NumAromaticRings: | 1 |
Unique Aglycone
AD00450
Formula: C6H5ON2F
Smiles:
NC(=O)c1ncccc1F| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 140.12 | Num_heavy_atoms: | 10 |
| TPSA: | 55.98 | NumAromaticRings: | 1 |
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
