Glycoside
GD052868
Name:
5-butyl-7-methyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazatricyclo[3.3.1.1³,â·]decan-6-oneFormula:
C17H30O5N2Smiles:
CCCC[C@]12CN3C[C@](C)(CN(C1)[C@@H]3[C@H](O)[C@@H](O)[C@@H](O)CO)C2=OAglycone:
CCCCC12CN3CN(CC(C)(C3)C1=O)C2Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 342.44 | Num_heavy_atoms: | 24 |
| TPSA: | 104.47 | NumAromaticRings: | 0 |
Unique Aglycone
AD27217
Formula: C13H22ON2
Smiles:
CCCCC12CN3CN(CC(C)(C3)C1=O)C2| HBA: | 3 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.92 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 222.33 | Num_heavy_atoms: | 16 |
| TPSA: | 23.55 | NumAromaticRings: | 0 |
