Glycoside
GD038140
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-(3-azidopropyl)amino]-2-azanyl-butanoic acidFormula:
C17H26O5N10Smiles:
[N-]=[N+]=NCCCN(CC[C@@H](N)C(=O)O)C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1OAglycone:
CN(CCCN=[N+]=[N-])CCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 11 |
| MolWt: | 450.46 | Num_heavy_atoms: | 32 |
| TPSA: | 234.63 | 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 |
AD23873
Formula: C8H17O2N5
Smiles:
CN(CCCN=[N+]=[N-])CCC(N)C(=O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 8 |
| MolWt: | 215.26 | Num_heavy_atoms: | 15 |
| TPSA: | 115.32 | NumAromaticRings: | 0 |
