Glycoside
GD122000
Name:
{[5-(4-amino-2-oxo-1,2,5,6-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acidFormula:
C9H16O8N3PSmiles:
N=C1CCN(C2OC(COP(=O)(O)O)C(O)C2O)C(O)=N1Aglycone:
COP(=O)(O)O.N=C1CCNC(O)=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.78 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 325.21 | Num_heavy_atoms: | 21 |
| TPSA: | 176.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD49136
Formula: C4H7ON3
Smiles:
N=C1CCNC(O)=N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 0 |
| MolWt: | 113.12 | Num_heavy_atoms: | 8 |
| TPSA: | 68.47 | NumAromaticRings: | 0 |
