Glycoside
GD077472
Name:
NoneFormula:
C17H23O5N3F2Smiles:
CC(C)NC(=O)C[C@@H]1O[C@H](CNC(=O)Nc2ccc(F)cc2F)[C@@H](O)[C@H]1OAglycone:
CC(=O)NC(C)C.CNC(=O)Nc1ccc(F)cc1FSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 387.38 | Num_heavy_atoms: | 27 |
| TPSA: | 119.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD21589
Formula: C5H11ON
Smiles:
CC(=O)NC(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 101.15 | Num_heavy_atoms: | 7 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD35501
Formula: C8H8ON2F2
Smiles:
CNC(=O)Nc1ccc(F)cc1F| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 1 |
| MolWt: | 186.16 | Num_heavy_atoms: | 13 |
| TPSA: | 41.13 | NumAromaticRings: | 1 |
