Glycoside
GD039681
Name:
5'-o-[(l-methionyl)-sulphamoyl]adenosineFormula:
C15H25O7N7S2Smiles:
CSCC[C@@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H](N2C=NC3=C(N)NC=NC32)[C@H](O)[C@@H]1OAglycone:
COS(=O)(=O)NC(=O)C(N)CCSC.NC1=C2N=CNC2N=CN1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.67 |
| AlogP: | -3.68 | Num_rotatable_bonds: | 9 |
| MolWt: | 479.54 | Num_heavy_atoms: | 31 |
| TPSA: | 214.19 | NumAromaticRings: | 0 |
Unique Aglycone
AD08879
Formula: C6H14O4N2S2
Smiles:
COS(=O)(=O)NC(=O)C(N)CCSC| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 6 |
| MolWt: | 242.32 | Num_heavy_atoms: | 14 |
| TPSA: | 98.49 | 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 |
