Glycoside
GD038919
Name:
(2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-hydroxyethyl)amino]-2-azaniumyl-butanoateFormula:
C16H25O6N7Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](CN(CCO)CC[C@@H]([NH3+])C(=O)[O-])[C@H](O)[C@@H]1OAglycone:
CN(CCO)CCC([NH3+])C(=O)[O-].Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -4.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 411.42 | Num_heavy_atoms: | 29 |
| TPSA: | 210.55 | 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 |
AD24188
Formula: C7H16O3N2
Smiles:
CN(CCO)CCC([NH3+])C(=O)[O-]| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | -3.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 176.22 | Num_heavy_atoms: | 12 |
| TPSA: | 91.24 | NumAromaticRings: | 0 |
