Glycoside
GD038163
Name:
(3r)-4-amino-3-{[6-({[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}-4-oxobutanoic acid (non-preferred name)Formula:
C20H28O8N8Smiles:
NC(=O)[C@@H](CC(=O)O)NC(=O)CCCCCNC(=O)[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1OAglycone:
NC(=O)C(CC(=O)O)NC(=O)CCCCCNC=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.55 |
| AlogP: | -2.85 | Num_rotatable_bonds: | 12 |
| MolWt: | 508.49 | Num_heavy_atoms: | 36 |
| TPSA: | 257.9 | 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 |
AD23881
Formula: C11H19O5N3
Smiles:
NC(=O)C(CC(=O)O)NC(=O)CCCCCNC=O| HBA: | 8 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 11 |
| MolWt: | 273.29 | Num_heavy_atoms: | 19 |
| TPSA: | 138.59 | NumAromaticRings: | 0 |
