Glycoside
GD038177
Name:
[(2~{r},3~{s},4~{r},5~{r})-5-[6-[(3-ethynylphenyl)amino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl sulfamateFormula:
C18H18O6N6SSmiles:
C#Cc1cccc(Nc2ncnc3c2ncn3[C@H]2O[C@H](COS(N)(=O)=O)[C@H](O)[C@@H]2O)c1Aglycone:
C#Cc1cccc(Nc2ncnc3c2N=C[N]3)c1.COS(N)(=O)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 446.45 | Num_heavy_atoms: | 31 |
| TPSA: | 174.71 | NumAromaticRings: | 3 |
Unique Aglycone
AD00036
Formula: CH5O3NS
Smiles:
COS(N)(=O)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.39 | NumAromaticRings: | 0 |
AD23888
Formula: C13H8N5
Smiles:
C#Cc1cccc(Nc2ncnc3c2N=C[N]3)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 234.24 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
