Glycoside
GD039062
Name:
cmp-3f(a)-neu5acFormula:
C19H30O14N4FPSmiles:
CC(=O)N[C@H]1[C@H]([C@@H](O)[C@@H](O)CO)O[C@H](O[P@](=O)(O)OC[C@H]2O[C@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)[C@H](F)[C@@H]1OAglycone:
COP(=O)(O)OC1OC(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: | 18 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.74 |
| AlogP: | -4.78 | Num_rotatable_bonds: | 10 |
| MolWt: | 588.44 | Num_heavy_atoms: | 39 |
| TPSA: | 285.61 | 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 |
AD24261
Formula: C11H21O10NFP
Smiles:
COP(=O)(O)OC1OC(C(O)C(O)CO)C(NC(C)=O)C(O)C1F| HBA: | 11 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | -2.61 | Num_rotatable_bonds: | 7 |
| MolWt: | 377.26 | Num_heavy_atoms: | 24 |
| TPSA: | 175.01 | NumAromaticRings: | 0 |
