Glycoside
GD115351
Name:
[({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphoryl)oxy]phosphonic acidFormula:
C20H27O16N10P3Smiles:
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)OP(=O)(O)O)C(O)C1OAglycone:
COP(=O)(O)OP(=O)(OC)OP(=O)(O)O.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.5 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 12 |
| MolWt: | 756.41 | Num_heavy_atoms: | 49 |
| TPSA: | 387.44 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD45611
Formula: C2H9O10P3
Smiles:
COP(=O)(O)OP(=O)(OC)OP(=O)(O)O| 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 |
