Glycoside
GD040242
Name:
threonylcarbamoyladenylateFormula:
C15H21O11N6PSmiles:
C[C@@H](O)[C@@H](NC(=O)OP(=O)(O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(=O)OAglycone:
COP(=O)(O)OC(=O)NC(C(=O)O)C(C)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.53 |
| AlogP: | -2.3 | Num_rotatable_bonds: | 8 |
| MolWt: | 492.34 | Num_heavy_atoms: | 33 |
| TPSA: | 261.7 | 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 |
AD24702
Formula: C6H12O8NP
Smiles:
COP(=O)(O)OC(=O)NC(C(=O)O)C(C)O| HBA: | 9 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 257.13 | Num_heavy_atoms: | 16 |
| TPSA: | 142.39 | NumAromaticRings: | 0 |
