Glycoside
GD156466
Name:
NoneFormula:
C18H25O5N2FSmiles:
O=C(CC1OC(CNCc2ccc(F)cc2)C(O)C1O)N1CCOCC1Aglycone:
CC(=O)N1CCOCC1.CNCc1ccc(F)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.61 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 368.41 | Num_heavy_atoms: | 26 |
| TPSA: | 91.26 | NumAromaticRings: | 1 |
Unique Aglycone
AD07955
Formula: C8H10NF
Smiles:
CNCc1ccc(F)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 139.17 | Num_heavy_atoms: | 10 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
AD24899
Formula: C6H11O2N
Smiles:
CC(=O)N1CCOCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 0 |
| MolWt: | 129.16 | Num_heavy_atoms: | 9 |
| TPSA: | 29.54 | NumAromaticRings: | 0 |
