Glycoside
GD038641
Name:
biotinyl-5-ampFormula:
C20H28O9N7PSSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@](=O)(O)OC(=O)CCCC[C@H]2SC[C@@H]3NC(=O)N[C@@H]32)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OC(=O)CCCCC1SCC2NC(=O)NC21.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 10 |
| MolWt: | 573.53 | Num_heavy_atoms: | 38 |
| TPSA: | 233.27 | 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 |
AD24083
Formula: C11H19O6N2PS
Smiles:
COP(=O)(O)OC(=O)CCCCC1SCC2NC(=O)NC21| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 7 |
| MolWt: | 338.32 | Num_heavy_atoms: | 21 |
| TPSA: | 113.96 | NumAromaticRings: | 0 |
