Glycoside
GD040070
Name:
2-(6-amino-9H-purin-9-yl)-5-{[(3-aminopropyl)(methyl)-λâ´-sulfanyl]methyl}oxolane-3,4-diolFormula:
C14H24O3N6SSmiles:
C[S@@H](CCCN)C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
C[SH](C)CCCN.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 356.45 | Num_heavy_atoms: | 24 |
| TPSA: | 145.33 | 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 |
AD24651
Formula: C5H15NS
Smiles:
C[SH](C)CCCN| HBA: | 1 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 121.25 | Num_heavy_atoms: | 7 |
| TPSA: | 26.02 | NumAromaticRings: | 0 |
