Glycoside
GD039460
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-ynoxymethyl]oxolane-3,4-diolFormula:
C18H18O4N10Smiles:
Nc1ncnc2[nH]c(C#CCOC[C@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)nc12Aglycone:
COCC#Cc1nc2c(N)ncnc2[nH]1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 438.41 | Num_heavy_atoms: | 32 |
| TPSA: | 209.02 | 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 |
AD24418
Formula: C9H9ON5
Smiles:
COCC#Cc1nc2c(N)ncnc2[nH]1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 203.21 | Num_heavy_atoms: | 15 |
| TPSA: | 89.71 | NumAromaticRings: | 2 |
