Glycoside
GD038479
Name:
({[({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonothioic acidFormula:
C10H16O12N5P3SSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(O)(O)=S)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(O)(O)=S.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 8 |
| MolWt: | 523.25 | Num_heavy_atoms: | 31 |
| TPSA: | 262.06 | NumAromaticRings: | 2 |
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 |
AD02456
Formula: CH7O9P3S
Smiles:
COP(=O)(O)OP(=O)(O)OP(O)(O)=S| HBA: | 9 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 288.05 | Num_heavy_atoms: | 14 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
