Glycoside
GD005942
Name:
PURINOPHOSTINFormula:
C16H25O18N4P3Smiles:
O=P(O)(O)O[C@@H]1[C@@H](n2cnc3cncnc32)O[C@@H](CO)[C@H]1O[C@H]1O[C@@H](CO)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1OAglycone:
C1=Nc2cncnc2[N]1.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.69 |
| AlogP: | -3.39 | Num_rotatable_bonds: | 11 |
| MolWt: | 654.31 | Num_heavy_atoms: | 41 |
| TPSA: | 332.26 | NumAromaticRings: | 2 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD01776
Formula: C5H3N4
Smiles:
C1=Nc2cncnc2[N]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 119.11 | Num_heavy_atoms: | 9 |
| TPSA: | 52.24 | NumAromaticRings: | 1 |
