Glycoside
GD038164
Name:
[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-azaniumylethyl)-[(3~{s})-3-azaniumyl-4-oxidanyl-4-oxidanylidene-butyl]azaniumFormula:
C16H29O5N8Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](C[NH+](CC[NH3+])CC[C@@H]([NH3+])C(=O)O)[C@H](O)[C@@H]1OAglycone:
C[NH+](CC[NH3+])CCC([NH3+])C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.62 |
| AlogP: | -5.76 | Num_rotatable_bonds: | 9 |
| MolWt: | 413.46 | Num_heavy_atoms: | 29 |
| TPSA: | 216.33 | 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 |
AD23882
Formula: C7H20O2N3
Smiles:
C[NH+](CC[NH3+])CCC([NH3+])C(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 8 | FractionCSP3: | 0.86 |
| AlogP: | -4.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 178.26 | Num_heavy_atoms: | 12 |
| TPSA: | 97.02 | NumAromaticRings: | 0 |
