Glycoside
GD039952
Name:
(2~{r},3~{r},4~{s},5~{r})-2-[6-azanyl-8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-[6-(2-azanylethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diolFormula:
C25H31O8N11Smiles:
NCCNc1ncnc2c1ncn2[C@H]1O[C@H](COCC#Cc2nc3c(N)ncnc3n2[C@H]2O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1OAglycone:
COCC#CC1=Nc2c(N)ncnc2[N]1.NCCNc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.52 |
| AlogP: | -3.78 | Num_rotatable_bonds: | 9 |
| MolWt: | 613.59 | Num_heavy_atoms: | 44 |
| TPSA: | 280.11 | NumAromaticRings: | 4 |
Unique Aglycone
AD07516
Formula: C9H8ON5
Smiles:
COCC#CC1=Nc2c(N)ncnc2[N]1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 202.2 | Num_heavy_atoms: | 15 |
| TPSA: | 87.49 | NumAromaticRings: | 1 |
AD17006
Formula: C7H9N6
Smiles:
NCCNc1ncnc2c1N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 177.19 | Num_heavy_atoms: | 13 |
| TPSA: | 90.29 | NumAromaticRings: | 1 |
