Glycoside
GD037670
Name:
thiophosphoric acid o-((adenosyl-phospho)phospho)-s-acetamidyl-diesterFormula:
C12H19O13N6P3SSmiles:
NC(=O)CS[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)SCC(N)=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 11 |
| MolWt: | 580.3 | Num_heavy_atoms: | 35 |
| TPSA: | 301.99 | 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 |
AD23692
Formula: C3H10O10NP3S
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)SCC(N)=O| HBA: | 11 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 345.1 | Num_heavy_atoms: | 18 |
| TPSA: | 182.68 | NumAromaticRings: | 0 |
