Glycoside
GD078824
Name:
NoneFormula:
C17H23O5NF2ClSmiles:
C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)COAglycone:
CC([NH3+])CCc1c(F)cc(Cl)cc1FSugarmoiety:
O=CC([OH2+])C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 6 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 10 |
| MolWt: | 382.81 | Num_heavy_atoms: | 25 |
| TPSA: | 114.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD36178
Formula: C11H13NF2Cl
Smiles:
CC([NH3+])CCc1c(F)cc(Cl)cc1F| HBA: | 1 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 220.67 | Num_heavy_atoms: | 14 |
| TPSA: | 27.64 | NumAromaticRings: | 1 |
