Glycoside
GD137024
Name:
{[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[({2,6-dihydroxy-2-oxo-tetrahydro-2H-2λâµ-furo[2,3-d][1,3,2]dioxaphosphol-5-yl}methoxy)(hydroxy)phosphoryl]oxy})phosphinic acidFormula:
C15H22O16N5P3Smiles:
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3OP(=O)(O)OC3C2O)C(O)C1OAglycone:
COP(=O)(O)OP(=O)(O)OCC1OC2OP(=O)(O)OC2C1O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.67 |
| AlogP: | -2.12 | Num_rotatable_bonds: | 9 |
| MolWt: | 621.28 | Num_heavy_atoms: | 39 |
| TPSA: | 306.82 | NumAromaticRings: | 2 |
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 |
AD55376
Formula: C6H13O13P3
Smiles:
COP(=O)(O)OP(=O)(O)OCC1OC2OP(=O)(O)OC2C1O| HBA: | 13 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 6 |
| MolWt: | 386.08 | Num_heavy_atoms: | 22 |
| TPSA: | 187.51 | NumAromaticRings: | 0 |
