Glycoside
GD040379
Name:
5'-{[(3-aminopropyl)sulfonyl]amino}-5'-deoxyadenosineFormula:
C13H21O5N7SSmiles:
NCCCS(=O)(=O)NC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1OAglycone:
CNS(=O)(=O)CCCN.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -2.7 | Num_rotatable_bonds: | 7 |
| MolWt: | 387.42 | Num_heavy_atoms: | 26 |
| TPSA: | 191.5 | 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 |
AD24748
Formula: C4H12O2N2S
Smiles:
CNS(=O)(=O)CCCN| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 152.22 | Num_heavy_atoms: | 9 |
| TPSA: | 72.19 | NumAromaticRings: | 0 |
