Glycoside
GD140517
Name:
{[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[(trihydroxyphosphaniumyl)methyl]phosphinic acidFormula:
C10H18O10N3P2Smiles:
N=c1ccn(C2OC(COP(=O)(O)C[P+](O)(O)O)C(O)C2O)c(O)n1Aglycone:
COP(=O)(O)C[P+](O)(O)O.N=C1C=C[N]C(O)=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.6 |
| AlogP: | -2.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 402.21 | Num_heavy_atoms: | 25 |
| TPSA: | 218.81 | NumAromaticRings: | 1 |
Unique Aglycone
AD45484
Formula: C4H4ON3
Smiles:
N=C1C=C[N]C(O)=N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.1 | Num_heavy_atoms: | 8 |
| TPSA: | 70.54 | NumAromaticRings: | 0 |
AD56653
Formula: C2H9O6P2
Smiles:
COP(=O)(O)C[P+](O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 3 |
| MolWt: | 191.04 | Num_heavy_atoms: | 10 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
