Glycoside
GD053287
Name:
5,7-diethyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazatricyclo[3.3.1.1³,â·]decan-6-oneFormula:
C16H28O5N2Smiles:
CC[C@]12CN3C[C@](CC)(CN(C1)[C@H]3[C@@H](O)[C@@H](O)[C@H](O)CO)C2=OAglycone:
CCC12CN3CN(C1)CC(CC)(C3)C2=OSugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 328.41 | Num_heavy_atoms: | 23 |
| TPSA: | 104.47 | NumAromaticRings: | 0 |
Unique Aglycone
AD27207
Formula: C12H20ON2
Smiles:
CCC12CN3CN(C1)CC(CC)(C3)C2=O| HBA: | 3 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.92 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 2 |
| MolWt: | 208.3 | Num_heavy_atoms: | 15 |
| TPSA: | 23.55 | NumAromaticRings: | 0 |
