Glycoside
GD039959
Name:
(2~{s},3~{r})-2-[2-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoylamino]-3-oxidanyl-butanoic acidFormula:
C16H23O10N6PSmiles:
C[C@@H](O)[C@@H](NC(=O)CP(=O)(O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(=O)OAglycone:
COP(=O)(O)CC(=O)NC(C(=O)O)C(C)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | -2.82 | Num_rotatable_bonds: | 9 |
| MolWt: | 490.37 | Num_heavy_atoms: | 33 |
| TPSA: | 252.47 | 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 |
AD24611
Formula: C7H14O7NP
Smiles:
COP(=O)(O)CC(=O)NC(C(=O)O)C(C)O| HBA: | 8 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 255.16 | Num_heavy_atoms: | 16 |
| TPSA: | 133.16 | NumAromaticRings: | 0 |
