Glycoside
GD037931
Name:
5'-deoxy-5'-{[(2r)-3-hydroxy-2-(4-phenyl-1h-1,2,3-triazol-1-yl)propanoyl]amino}uridineFormula:
C20H22O7N6Smiles:
O=C(NC[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)[C@@H](CO)n1cc(-c2ccccc2)nn1Aglycone:
CNC(=O)C(CO)n1cc(-c2ccccc2)nn1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -2.24 | Num_rotatable_bonds: | 7 |
| MolWt: | 458.43 | Num_heavy_atoms: | 33 |
| TPSA: | 184.59 | NumAromaticRings: | 3 |
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 |
AD23781
Formula: C12H14O2N4
Smiles:
CNC(=O)C(CO)n1cc(-c2ccccc2)nn1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 246.27 | Num_heavy_atoms: | 18 |
| TPSA: | 80.04 | NumAromaticRings: | 2 |
