Glycoside
GD148897
Name:
3'-L-Threonyl-AmpFormula:
C14H21O9N6PSmiles:
CC(O)C(N)C(=O)OC1C(COP(=O)(O)O)OC(n2cnc3c(N)ncnc32)C1OAglycone:
CC(O)C(N)C(=O)O.COP(=O)(O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | -2.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 448.33 | Num_heavy_atoms: | 30 |
| TPSA: | 238.39 | 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 |
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 |
AD02859
Formula: C4H9O3N
Smiles:
CC(O)C(N)C(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 119.12 | Num_heavy_atoms: | 8 |
| TPSA: | 83.55 | NumAromaticRings: | 0 |
