Glycoside
GD040185
Name:
uridine-diphosphate-2(n-acetylglucosaminyl-3-fluoro-2-phosphonooxy)propionic acidFormula:
C20H31O23N3FP3Smiles:
CC(=O)N[C@H]1[C@H](O[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O[C@](CF)(OP(=O)(O)O)C(=O)OAglycone:
COP(=O)(O)OP(=O)(O)O.O=C(O)C(O)(CF)OP(=O)(O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
CC(=O)NC1OOC(CO)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.7 |
| AlogP: | -4.77 | Num_rotatable_bonds: | 16 |
| MolWt: | 793.39 | Num_heavy_atoms: | 50 |
| TPSA: | 398.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD24691
Formula: C3H6O7FP
Smiles:
O=C(O)C(O)(CF)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 204.05 | Num_heavy_atoms: | 12 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
