Glycoside
GD039528
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-(5-carbamimidamidopentyl)amino]-2-azanyl-butanoic acidFormula:
C20H34O5N10Smiles:
N=C(N)NCCCCCN(CC[C@@H](N)C(=O)O)C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
CN(CCCCCNC(=N)N)CCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.65 |
| AlogP: | -2.21 | Num_rotatable_bonds: | 13 |
| MolWt: | 494.56 | Num_heavy_atoms: | 35 |
| TPSA: | 247.77 | 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 |
AD08124
Formula: C11H25O2N5
Smiles:
CN(CCCCCNC(=N)N)CCC(N)C(=O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 10 |
| MolWt: | 259.35 | Num_heavy_atoms: | 18 |
| TPSA: | 128.46 | NumAromaticRings: | 0 |
