Glycoside
GD118006
Name:
[({[5-(6-amino-7H-purin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphinic acidFormula:
C16H25O15N5P2Smiles:
Nc1ncnc2ncn(C3OC(COP(=O)(O)OP(=O)(O)OC4OC(CO)C(O)C(O)C4O)C(O)C3O)c12Aglycone:
COP(=O)(O)OP(=O)(O)O.Nc1ncnc2c1[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.69 |
| AlogP: | -3.92 | Num_rotatable_bonds: | 9 |
| MolWt: | 589.34 | Num_heavy_atoms: | 38 |
| TPSA: | 311.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD08370
Formula: C5H4N5
Smiles:
Nc1ncnc2c1[N]C=N2| 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 |
