Glycoside
GD156230
Name:
(hexahydro-1H-pyrrolizin-1-yl)methyl 4-[(6-ethyl-3,4,5-trihydroxyoxan-2-yl)oxy]-3,5-bis(3-methylbut-2-en-1-yl)benzoateFormula:
C32H47O7NSmiles:
CCC1OC(Oc2c(CC=C(C)C)cc(C(=O)OCC3CCN4CCCC34)cc2CC=C(C)C)C(O)C(O)C1OAglycone:
CC(C)=CCc1cc(C(=O)OCC2CCN3CCCC23)cc(CC=C(C)C)c1OSugarmoiety:
CCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.66 |
| AlogP: | 3.94 | Num_rotatable_bonds: | 10 |
| MolWt: | 557.73 | Num_heavy_atoms: | 40 |
| TPSA: | 108.69 | NumAromaticRings: | 1 |
Unique Aglycone
AD47926
Formula: C25H35O3N
Smiles:
CC(C)=CCc1cc(C(=O)OCC2CCN3CCCC23)cc(CC=C(C)C)c1O| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.56 |
| AlogP: | 5.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 397.56 | Num_heavy_atoms: | 29 |
| TPSA: | 49.77 | NumAromaticRings: | 1 |
