Glycoside
GD038786
Name:
cytidine-5'-monophosphate-3-fluoro-n-acetyl-neuraminic acidFormula:
C20H30O16N4FPSmiles:
CC(=O)N[C@H]1[C@H]([C@@H](O)[C@@H](O)CO)OC(O[P@](=O)(O)OC[C@H]2O[C@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)(C(=O)O)[C@H](F)[C@@H]1OAglycone:
COP(=O)(O)OC1(C(=O)O)OC(C(O)C(O)CO)C(NC(C)=O)C(O)C1F.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.7 |
| AlogP: | -5.32 | Num_rotatable_bonds: | 11 |
| MolWt: | 632.44 | Num_heavy_atoms: | 42 |
| TPSA: | 322.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD24143
Formula: C12H21O12NFP
Smiles:
COP(=O)(O)OC1(C(=O)O)OC(C(O)C(O)CO)C(NC(C)=O)C(O)C1F| HBA: | 13 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | -3.15 | Num_rotatable_bonds: | 8 |
| MolWt: | 421.27 | Num_heavy_atoms: | 27 |
| TPSA: | 212.31 | NumAromaticRings: | 0 |
