Glycoside
GD039467
Name:
(2~{r},3~{r},4~{s},5~{r})-2-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)oxolane-3,4-diolFormula:
C19H28O3N6Smiles:
Nc1ncnc2c1ccn2[C@H]1O[C@H](CN2CCCC23CCNCC3)[C@H](O)[C@@H]1OAglycone:
CN1CCCC12CCNCC2.Nc1ncnc2c1C=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 388.47 | Num_heavy_atoms: | 28 |
| TPSA: | 121.69 | NumAromaticRings: | 2 |
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 |
AD19744
Formula: C9H18N2
Smiles:
CN1CCCC12CCNCC2| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 0 |
| MolWt: | 154.26 | Num_heavy_atoms: | 11 |
| TPSA: | 15.27 | NumAromaticRings: | 0 |
