Glycoside
GD062074
Name:
NoneFormula:
C17H26O4N2FSmiles:
CC(C)NC(=O)C[C@@H]1O[C@H](C[NH2+]Cc2ccc(F)cc2)[C@@H](O)[C@H]1OAglycone:
CC(=O)NC(C)C.C[NH2+]Cc1ccc(F)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 7 |
| MolWt: | 341.4 | Num_heavy_atoms: | 24 |
| TPSA: | 95.4 | 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 |
AD30287
Formula: C8H11NF
Smiles:
C[NH2+]Cc1ccc(F)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 140.18 | Num_heavy_atoms: | 10 |
| TPSA: | 16.61 | NumAromaticRings: | 1 |
