Glycoside
GD039454
Name:
(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-(6-azanyl-9~{h}-purin-8-yl)prop-2-ynyl-methyl-amino]methyl]oxolane-3,4-diolFormula:
C19H21O3N11Smiles:
CN(CC#Cc1nc2c(N)ncnc2[nH]1)C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
CN(C)CC#Cc1nc2c(N)ncnc2[nH]1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.37 |
| AlogP: | -1.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 451.45 | Num_heavy_atoms: | 33 |
| TPSA: | 203.03 | 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 |
AD24413
Formula: C10H12N6
Smiles:
CN(C)CC#Cc1nc2c(N)ncnc2[nH]1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 216.25 | Num_heavy_atoms: | 16 |
| TPSA: | 83.72 | NumAromaticRings: | 2 |
