Glycoside
GD040355
Name:
5'-o-[(s)-[(3s)-3-carboxypyrrolidin-1-yl](hydroxy)phosphoryl]adenosineFormula:
C15H21O8N6PSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)(O)N2CC[C@@H](C(=O)O)C2)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)N1CCC(C(=O)O)C1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 444.34 | Num_heavy_atoms: | 30 |
| TPSA: | 206.38 | 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 |
AD24734
Formula: C6H12O5NP
Smiles:
COP(=O)(O)N1CCC(C(=O)O)C1| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 209.14 | Num_heavy_atoms: | 13 |
| TPSA: | 87.07 | NumAromaticRings: | 0 |
