Glycoside
GD040075
Name:
(2~{r},3~{r},4~{s},5~{s})-2-(6-aminopurin-9-yl)-5-[[(3~{s})-3-azanyl-3-(1~{h}-1,2,3,4-tetrazol-5-yl)propyl]sulfanylmethyl]oxolane-3,4-diolFormula:
C14H20O3N10SSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](CSCC[C@@H](N)c2nnn[nH]2)[C@H](O)[C@@H]1OAglycone:
CSCCC(N)c1nnn[nH]1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 7 |
| MolWt: | 408.45 | Num_heavy_atoms: | 28 |
| TPSA: | 199.79 | NumAromaticRings: | 3 |
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 |
AD24655
Formula: C5H11N5S
Smiles:
CSCCC(N)c1nnn[nH]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 173.25 | Num_heavy_atoms: | 11 |
| TPSA: | 80.48 | NumAromaticRings: | 1 |
