Glycoside
GD122412
Name:
({[({[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)[({[5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acidFormula:
C18H27O21N5P4Smiles:
N=c1ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4ccc(O)nc4=O)C(O)C3O)O2)c(O)n1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=N)nc2O)CC1O.O=c1nc(O)cc[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.56 |
| AlogP: | -2.22 | Num_rotatable_bonds: | 14 |
| MolWt: | 773.32 | Num_heavy_atoms: | 48 |
| TPSA: | 391.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD15478
Formula: C4H4O2N2
Smiles:
O=c1nc(O)cc[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
AD49324
Formula: C10H19O16N3P4
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=N)nc2O)CC1O| HBA: | 19 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 11 |
| MolWt: | 561.16 | Num_heavy_atoms: | 33 |
| TPSA: | 286.71 | NumAromaticRings: | 1 |
