Glycoside
GD039539
Name:
9-{5-o-[(s)-hydroxy{[(r)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]-alpha-l-arabinofuranosyl}-3,9-dihydro-1h-purine-2,6-dioneFormula:
C10H15O14N4P3SSmiles:
O=c1[nH]c(=O)c2ncn([C@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(O)(O)=S)[C@H](O)[C@@H]3O)c2[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)OP(O)(O)=S.O=c1[nH]c2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -2.51 | Num_rotatable_bonds: | 8 |
| MolWt: | 540.23 | Num_heavy_atoms: | 32 |
| TPSA: | 275.98 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD02805
Formula: C5H3O2N4
Smiles:
O=c1[nH]c2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 151.11 | Num_heavy_atoms: | 11 |
| TPSA: | 92.18 | NumAromaticRings: | 1 |
