Glycoside
GD040467
Name:
(2r)-2-amino-6-({[(2s,3r)-3-methylpyrrolidin-2-yl]carbonyl}amino)hexanoyl [(2s,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl hydrogen (r)-phosphateFormula:
C22H35O9N8PSmiles:
C[C@@H]1CCN[C@H]1C(=O)NCCCC[C@@H](N)C(=O)O[P@](=O)(O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OC(=O)C(N)CCCCNC(=O)C1NCCC1C.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.68 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 12 |
| MolWt: | 586.54 | Num_heavy_atoms: | 40 |
| TPSA: | 259.29 | 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 |
AD24783
Formula: C13H26O6N3P
Smiles:
COP(=O)(O)OC(=O)C(N)CCCCNC(=O)C1NCCC1C| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.85 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 9 |
| MolWt: | 351.34 | Num_heavy_atoms: | 23 |
| TPSA: | 139.98 | NumAromaticRings: | 0 |
