Glycoside
GD071221
Name:
2-(1,2,3,4,5-pentahydroxypentyl)-5,7-bis(propan-2-yl)-1,3-diazatricyclo[3.3.1.1³,â·]decan-6-oneFormula:
C19H34O6N2Smiles:
CC(C)[C@]12CN3C[C@](C(C)C)(CN(C1)[C@H]3[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C2=OAglycone:
CC(C)C12CN3CN(C1)CC(C(C)C)(C3)C2=OSugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 7 |
| MolWt: | 386.49 | Num_heavy_atoms: | 27 |
| TPSA: | 124.7 | NumAromaticRings: | 0 |
Unique Aglycone
AD30332
Formula: C14H24ON2
Smiles:
CC(C)C12CN3CN(C1)CC(C(C)C)(C3)C2=O| HBA: | 3 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.93 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 2 |
| MolWt: | 236.36 | Num_heavy_atoms: | 17 |
| TPSA: | 23.55 | NumAromaticRings: | 0 |
