Glycoside
GD038255
Name:
5'-o-[(r)-(3-aminopropoxy)(l-alpha-aspartylamino)phosphoryl]adenosineFormula:
C17H27O9N8PSmiles:
NCCCO[P@](=O)(NC(=O)[C@@H](N)CC(=O)O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1OAglycone:
COP(=O)(NC(=O)C(N)CC(=O)O)OCCCN.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.59 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 12 |
| MolWt: | 518.42 | Num_heavy_atoms: | 35 |
| TPSA: | 273.28 | 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 |
AD23934
Formula: C8H18O6N3P
Smiles:
COP(=O)(NC(=O)C(N)CC(=O)O)OCCCN| HBA: | 9 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.75 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 9 |
| MolWt: | 283.22 | Num_heavy_atoms: | 18 |
| TPSA: | 153.97 | NumAromaticRings: | 0 |
