Glycoside
GD032028
Name:
NoneFormula:
C21H37O11N3F2Smiles:
NCCCCCO[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(=O)CF)[C@H](O)[C@H]1NC(=O)CFAglycone:
NC(=O)CF.NC(=O)CF.NCCCCCOSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.9 |
| AlogP: | -4.06 | Num_rotatable_bonds: | 14 |
| MolWt: | 545.53 | Num_heavy_atoms: | 37 |
| TPSA: | 222.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD05658
Formula: C5H13ON
Smiles:
NCCCCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 103.16 | Num_heavy_atoms: | 7 |
| TPSA: | 46.25 | NumAromaticRings: | 0 |
AD06394
Formula: C2H4ONF
Smiles:
NC(=O)CF| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 77.06 | Num_heavy_atoms: | 5 |
| TPSA: | 43.09 | NumAromaticRings: | 0 |
