Glycoside
GD040093
Name:
(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-n-[[(2s,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]methylsulfonyl]-3,4-dihydroxy-oxolane-2-carboxamideFormula:
C20H24O11N8SSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](C(=O)NS(=O)(=O)C[C@@H]2[C@@H](CO)O[C@@H](n3ccc(=O)[nH]c3=O)[C@H]2O)[C@H](O)[C@@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CNS(=O)(=O)CC1C(CO)OC(n2ccc(=O)[nH]c2=O)C1OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -5.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 584.52 | Num_heavy_atoms: | 40 |
| TPSA: | 287.1 | 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 |
AD24661
Formula: C11H15O8N3S
Smiles:
O=CNS(=O)(=O)CC1C(CO)OC(n2ccc(=O)[nH]c2=O)C1O| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -3.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 349.32 | Num_heavy_atoms: | 23 |
| TPSA: | 167.79 | NumAromaticRings: | 1 |
