Glycoside
GD139469
Name:
{[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[(2-formyl-4,5,6-trihydroxyoxan-2-yl)oxy]phosphinic acidFormula:
C15H22O13N3PSmiles:
N=c1ccn(C2OC(COP(=O)(O)OC3(C=O)CC(O)C(O)C(O)O3)C(O)C2O)c(O)n1Aglycone:
COP(=O)(O)O.N=C1C=C[N]C(O)=N1Sugarmoiety:
O=CC1(O)CC(O)C(O)C(O)O1.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.67 |
| AlogP: | -3.82 | Num_rotatable_bonds: | 7 |
| MolWt: | 483.32 | Num_heavy_atoms: | 32 |
| TPSA: | 254.34 | NumAromaticRings: | 1 |
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 |
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 |
