Glycoside
GD029449
Name:
GLYCOLIPIDIC NITRONEFormula:
C36H62O12N2SSmiles:
CCCCCCCCCCCCSCC(C)(C)[N+]([O-])=Cc1ccc(CNC(=O)[C@H](O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)CO)cc1Aglycone:
CCCCCCCCCCCCSCC(C)(C)[N+]([O-])=Cc1ccc(C[NH])cc1Sugarmoiety:
O=CC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)COOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.78 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 25 |
| MolWt: | 746.96 | Num_heavy_atoms: | 51 |
| TPSA: | 235.47 | NumAromaticRings: | 1 |
Unique Aglycone
AD19154
Formula: C24H41ON2S
Smiles:
CCCCCCCCCCCCSCC(C)(C)[N+]([O-])=Cc1ccc(C[NH])cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 6.83 | Num_rotatable_bonds: | 16 |
| MolWt: | 405.67 | Num_heavy_atoms: | 28 |
| TPSA: | 49.87 | NumAromaticRings: | 1 |
