Glycoside
GD037785
Name:
5'-s-(3-{[(3r)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]amino}propyl)-5'-thioadenosineFormula:
C23H29O4N7SSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](CSCCCNC(=O)[C@@H]2Cc3ccccc3CN2)[C@@H](O)[C@H]1OAglycone:
CSCCCNC(=O)C1Cc2ccccc2CN1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 8 |
| MolWt: | 499.6 | Num_heavy_atoms: | 35 |
| TPSA: | 160.44 | NumAromaticRings: | 3 |
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 |
AD22771
Formula: C14H20ON2S
Smiles:
CSCCCNC(=O)C1Cc2ccccc2CN1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 264.39 | Num_heavy_atoms: | 18 |
| TPSA: | 41.13 | NumAromaticRings: | 1 |
