Glycoside
GD039416
Name:
[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-2-pyridin-3-yl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-oxidanyl-propanoyl]sulfamateFormula:
C18H22O8N8SSmiles:
Nc1nc(-c2cccnc2)nc2c1ncn2[C@H]1O[C@H](COS(=O)(=O)NC(=O)[C@@H](N)CO)[C@H](O)[C@@H]1OAglycone:
COS(=O)(=O)NC(=O)C(N)CO.Nc1nc(-c2cccnc2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.39 |
| AlogP: | -3.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 510.49 | Num_heavy_atoms: | 35 |
| TPSA: | 250.92 | NumAromaticRings: | 3 |
Unique Aglycone
AD05797
Formula: C4H10O5N2S
Smiles:
COS(=O)(=O)NC(=O)C(N)CO| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -2.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 198.2 | Num_heavy_atoms: | 12 |
| TPSA: | 118.72 | NumAromaticRings: | 0 |
AD20203
Formula: C10H7N6
Smiles:
Nc1nc(-c2cccnc2)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 211.21 | Num_heavy_atoms: | 16 |
| TPSA: | 91.15 | NumAromaticRings: | 2 |
