Glycoside
GD037674
Name:
2-methylthio-n6-(aminocarbonyl-l-threonyl)-adenosine-5'-monophosphateFormula:
C16H23O11N6PSSmiles:
CSc1nc(NC(=O)N[C@@H](C(=O)O)[C@@H](C)O)c2ncn([C@H]3O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]3O)c2n1Aglycone:
COP(=O)(O)O.CSc1nc2c(c(NC(=O)NC(C(=O)O)C(C)O)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | -1.77 | Num_rotatable_bonds: | 9 |
| MolWt: | 538.43 | Num_heavy_atoms: | 35 |
| 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 |
AD23695
Formula: C11H13O4N6S
Smiles:
CSc1nc2c(c(NC(=O)NC(C(=O)O)C(C)O)n1)N=C[N]2| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 325.33 | Num_heavy_atoms: | 22 |
| TPSA: | 150.9 | NumAromaticRings: | 1 |
