Glycoside
GD039879
Name:
5'-o-[(r)-hydroxy{[(4r,8s)-4,6,8-trihydroxy-2,4,6,8-tetraoxo-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocan-2-yl]oxy}phosphoryl]adenosineFormula:
C10H16O18N5P5Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)(O)OP2(=O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O2)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OP1(=O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 649.13 | Num_heavy_atoms: | 38 |
| TPSA: | 340.96 | 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 |
AD24570
Formula: CH7O15P5
Smiles:
COP(=O)(O)OP1(=O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O1| HBA: | 15 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 413.92 | Num_heavy_atoms: | 21 |
| TPSA: | 221.65 | NumAromaticRings: | 0 |
