Glycoside
GD039459
Name:
(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynylamino]methyl]oxolane-3,4-diolFormula:
C23H27O7N11Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](CNCC#Cc2nc3c(N)ncnc3n2[C@H]2O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1OAglycone:
CNCC#CC1=Nc2c(N)ncnc2[N]1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.48 |
| AlogP: | -4.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 569.54 | Num_heavy_atoms: | 41 |
| TPSA: | 270.88 | NumAromaticRings: | 4 |
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 |
AD07936
Formula: C9H9N6
Smiles:
CNCC#CC1=Nc2c(N)ncnc2[N]1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 201.21 | Num_heavy_atoms: | 15 |
| TPSA: | 90.29 | NumAromaticRings: | 1 |
