Glycoside
GD114212
Name:
bis[({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acidFormula:
C20H27O18N10P3Smiles:
N=c1nc(O)c2ncn(C3OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n5cnc6c(O)nc(=N)[nH]c65)C(O)C4O)C(O)C3O)c2[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OC.N=c1nc(O)c2c([nH]1)[N]C=N2.N=c1nc(O)c2c([nH]1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.5 |
| AlogP: | -3.49 | Num_rotatable_bonds: | 12 |
| MolWt: | 788.41 | Num_heavy_atoms: | 51 |
| TPSA: | 429.36 | NumAromaticRings: | 4 |
Unique Aglycone
AD02306
Formula: C2H9O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OC| HBA: | 10 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 286.01 | Num_heavy_atoms: | 15 |
| TPSA: | 148.82 | NumAromaticRings: | 0 |
AD44903
Formula: C5H4ON5
Smiles:
N=c1nc(O)c2c([nH]1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 99.22 | NumAromaticRings: | 1 |
