Glycoside
GD071139
Name:
2-(1,2,3,4,5-pentahydroxypentyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1³,â·]decan-6-oneFormula:
C19H34O6N2Smiles:
CCC[C@]12CN3C[C@](CCC)(CN(C1)[C@H]3[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C2=OAglycone:
CCCC12CN3CN(C1)CC(CCC)(C3)C2=OSugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 9 |
| MolWt: | 386.49 | Num_heavy_atoms: | 27 |
| TPSA: | 124.7 | NumAromaticRings: | 0 |
Unique Aglycone
AD06092
Formula: C14H24ON2
Smiles:
CCCC12CN3CN(C1)CC(CCC)(C3)C2=O| HBA: | 3 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.93 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 4 |
| MolWt: | 236.36 | Num_heavy_atoms: | 17 |
| TPSA: | 23.55 | NumAromaticRings: | 0 |
