Glycoside
GD039671
Name:
l-methionyl adenylateFormula:
C15H27O7N6PSSmiles:
CSCC[C@@H](N)CO[P@](=O)(O)OC[C@H]1O[C@H](N2C=NC3=C(N)NC=NC32)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OCC(N)CCSC.NC1=C2N=CNC2N=CN1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.73 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 10 |
| MolWt: | 466.46 | Num_heavy_atoms: | 30 |
| TPSA: | 197.48 | NumAromaticRings: | 0 |
Unique Aglycone
AD24502
Formula: C6H16O4NPS
Smiles:
COP(=O)(O)OCC(N)CCSC| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 7 |
| MolWt: | 229.24 | Num_heavy_atoms: | 13 |
| TPSA: | 81.78 | NumAromaticRings: | 0 |
AD24503
Formula: C5H7N5
Smiles:
NC1=C2N=CNC2N=CN1| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.2 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 0 |
| MolWt: | 137.15 | Num_heavy_atoms: | 10 |
| TPSA: | 74.8 | NumAromaticRings: | 0 |
