Glycoside
GD132087
Name:
NoneFormula:
C19H26O6N3FSmiles:
OC(CC1OC(CN=C(O)N2CCOCC2)C(O)C1O)=NCc1ccc(F)cc1Aglycone:
CC(O)=NCc1ccc(F)cc1.CN=C(O)N1CCOCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 411.43 | Num_heavy_atoms: | 29 |
| TPSA: | 127.34 | NumAromaticRings: | 1 |
Unique Aglycone
AD45426
Formula: C9H10ONF
Smiles:
CC(O)=NCc1ccc(F)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 167.18 | Num_heavy_atoms: | 12 |
| TPSA: | 32.59 | NumAromaticRings: | 1 |
AD46358
Formula: C6H12O2N2
Smiles:
CN=C(O)N1CCOCC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 144.17 | Num_heavy_atoms: | 10 |
| TPSA: | 45.06 | NumAromaticRings: | 0 |
