Glycoside
GD040465
Name:
5'-o-[({(2r)-2-amino-6-[(2e)-but-2-enoylamino]hexanoyl}oxy)phosphinato]adenosineFormula:
C20H30O9N7PSmiles:
CC=CC(=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:
CC=CC(=O)NCCCCC(N)C(=O)OP(=O)(O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 12 |
| MolWt: | 543.47 | Num_heavy_atoms: | 37 |
| TPSA: | 247.26 | 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 |
AD24781
Formula: C11H21O6N2P
Smiles:
CC=CC(=O)NCCCCC(N)C(=O)OP(=O)(O)OC| HBA: | 8 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 9 |
| MolWt: | 308.27 | Num_heavy_atoms: | 20 |
| TPSA: | 127.95 | NumAromaticRings: | 0 |
