Glycoside
GD028166
Name:
NoneFormula:
C21H33O11N3F6Smiles:
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)C(F)(F)F)[C@H](O)[C@H]1NC(=O)C(F)(F)FAglycone:
NC(=O)C(F)(F)F.NC(=O)C(F)(F)F.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: | -2.87 | Num_rotatable_bonds: | 12 |
| MolWt: | 617.49 | Num_heavy_atoms: | 41 |
| TPSA: | 222.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD01445
Formula: C2H2ONF3
Smiles:
NC(=O)C(F)(F)F| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 113.04 | Num_heavy_atoms: | 7 |
| TPSA: | 43.09 | NumAromaticRings: | 0 |
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 |
