Glycoside
GD037923
Name:
7-[5-s-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-d-ribofuranosyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amineFormula:
C23H32O3N6SSmiles:
CCc1ccncc1CNCCCCSC[C@H]1O[C@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCc1ccncc1CNCCCCSC.Nc1ncnc2c1C=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 11 |
| MolWt: | 472.62 | Num_heavy_atoms: | 33 |
| TPSA: | 131.34 | NumAromaticRings: | 3 |
Unique Aglycone
AD00138
Formula: C6H5N4
Smiles:
Nc1ncnc2c1C=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 133.13 | Num_heavy_atoms: | 10 |
| TPSA: | 65.9 | NumAromaticRings: | 1 |
AD23778
Formula: C13H22N2S
Smiles:
CCc1ccncc1CNCCCCSC| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 8 |
| MolWt: | 238.4 | Num_heavy_atoms: | 16 |
| TPSA: | 24.92 | NumAromaticRings: | 1 |
