Glycoside
GD040166
Name:
n-[n-(9-b-d-ribofuranosylpurin-6-yl)carbamoyl]threonine-5'-monophosphateFormula:
C15H21O11N6PSmiles:
C[C@@H](O)[C@@H](NC(=O)Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]1O)C(=O)OAglycone:
CC(O)C(NC(=O)Nc1ncnc2c1N=C[N]2)C(=O)O.COP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.53 |
| AlogP: | -2.49 | Num_rotatable_bonds: | 8 |
| MolWt: | 492.34 | Num_heavy_atoms: | 33 |
| TPSA: | 258.71 | NumAromaticRings: | 2 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD24686
Formula: C10H11O4N6
Smiles:
CC(O)C(NC(=O)Nc1ncnc2c1N=C[N]2)C(=O)O| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 279.24 | Num_heavy_atoms: | 20 |
| TPSA: | 150.9 | NumAromaticRings: | 1 |
