Glycoside
GD037844
Name:
(5s)-5-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}-n~6~-carbamimidoyl-l-lysineFormula:
C17H27O5N9Smiles:
N=C(N)NC[C@H](CC[C@@H](N)C(=O)O)C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
CC(CCC(N)C(=O)O)CNC(=N)N.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.59 |
| AlogP: | -2.29 | Num_rotatable_bonds: | 9 |
| MolWt: | 437.46 | Num_heavy_atoms: | 31 |
| TPSA: | 244.53 | 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 |
AD23755
Formula: C8H18O2N4
Smiles:
CC(CCC(N)C(=O)O)CNC(=N)N| HBA: | 6 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 0.75 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 202.26 | Num_heavy_atoms: | 14 |
| TPSA: | 125.22 | NumAromaticRings: | 0 |
