Glycoside
GD040356
Name:
(2~{s})-1-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]pyrrolidine-2-carboxylic acidFormula:
C15H21O8N6PSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)(O)N2CCC[C@H]2C(=O)O)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)N1CCCC1C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 444.34 | Num_heavy_atoms: | 30 |
| TPSA: | 206.38 | 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 |
AD24735
Formula: C6H12O5NP
Smiles:
COP(=O)(O)N1CCCC1C(=O)O| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 209.14 | Num_heavy_atoms: | 13 |
| TPSA: | 87.07 | NumAromaticRings: | 0 |
