Glycoside
GD030479
Name:
NoneFormula:
C28H43O18N5F4Smiles:
CC(=O)N[C@H]1[C@H](O[C@@H]2O[C@H](CF)[C@H](O)[C@H](O[C@@]3(C(=O)O)C[C@H](O)[C@H](NC(=O)C(F)(F)F)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1OCCCN=[N+]=[N-]Aglycone:
O=C(NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO)C(F)(F)F.[N-]=[N+]=NCCCOSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OC1OC(CF)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.89 |
| AlogP: | -4.84 | Num_rotatable_bonds: | 17 |
| MolWt: | 813.66 | Num_heavy_atoms: | 55 |
| TPSA: | 361.48 | NumAromaticRings: | 0 |
Unique Aglycone
AD09348
Formula: C3H7ON3
Smiles:
[N-]=[N+]=NCCCO| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 101.11 | Num_heavy_atoms: | 7 |
| TPSA: | 68.99 | NumAromaticRings: | 0 |
AD19723
Formula: C11H16O9NF3
Smiles:
O=C(NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO)C(F)(F)F| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | -3.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 363.24 | Num_heavy_atoms: | 24 |
| TPSA: | 176.78 | NumAromaticRings: | 0 |
