Glycoside
GD040463
Name:
(s)-2-amino-6-(((prop-2-yn-1-yloxy)carbonyl)amino)hexanoic (((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric)anhydrideFormula:
C20H28O10N7PSmiles:
C#CCOC(=O)NCCCC[C@@H](N)C(=O)OP(=O)(O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
C#CCOC(=O)NCCCCC(N)C(=O)OP(=O)(O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 12 |
| MolWt: | 557.46 | Num_heavy_atoms: | 38 |
| TPSA: | 256.49 | 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 |
AD24779
Formula: C11H19O7N2P
Smiles:
C#CCOC(=O)NCCCCC(N)C(=O)OP(=O)(O)OC| HBA: | 9 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 9 |
| MolWt: | 322.25 | Num_heavy_atoms: | 21 |
| TPSA: | 137.18 | NumAromaticRings: | 0 |
