Glycoside
GD038403
Name:
5'-o-[(s)-{[(s)-{[(2r,3r,4s)-3,4-dihydroxypyrrolidin-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosineFormula:
C15H24O12N6P2Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2NC[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OCC1NCC(O)C1O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.67 |
| AlogP: | -3.03 | Num_rotatable_bonds: | 9 |
| MolWt: | 542.34 | Num_heavy_atoms: | 35 |
| TPSA: | 274.09 | 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 |
AD01888
Formula: C6H15O9NP2
Smiles:
COP(=O)(O)OP(=O)(O)OCC1NCC(O)C1O| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 307.13 | Num_heavy_atoms: | 18 |
| TPSA: | 154.78 | NumAromaticRings: | 0 |
