Glycoside
GD038220
Name:
[(2~{s},5~{r})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-[(2~{r})-2-oxidanylpropyl]azaniumFormula:
C18H31O6N7Smiles:
C[C@@H](O)C[NH2+][C@H](CC[C@@H]([NH3+])C(=O)O)C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
CC(O)C[NH2+]C(C)CCC([NH3+])C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.67 |
| AlogP: | -3.79 | Num_rotatable_bonds: | 10 |
| MolWt: | 441.49 | Num_heavy_atoms: | 31 |
| TPSA: | 221.09 | 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 |
AD23912
Formula: C9H22O3N2
Smiles:
CC(O)C[NH2+]C(C)CCC([NH3+])C(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | -2.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 206.29 | Num_heavy_atoms: | 14 |
| TPSA: | 101.78 | NumAromaticRings: | 0 |
