Glycoside
GD039256
Name:
[(2r,3r,4s,5s)-5-(2-azanyl-6-oxidanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl bis(oxidanyl)phosphinothioyl hydrogen phosphateFormula:
C10H15O10N5P2SSmiles:
Nc1nc(O)c2ncn([C@H]3O[C@H](COP(=O)(O)OP(O)(O)=S)[C@H](O)[C@@H]3O)c2n1Aglycone:
COP(=O)(O)OP(O)(O)=S.Nc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 459.27 | Num_heavy_atoms: | 28 |
| TPSA: | 235.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD00080
Formula: C5H4ON5
Smiles:
Nc1nc(O)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.49 | NumAromaticRings: | 1 |
AD24321
Formula: CH6O6P2S
Smiles:
COP(=O)(O)OP(O)(O)=S| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.07 | Num_heavy_atoms: | 10 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
