Glycoside
GD119560
Name:
(hexahydro-1H-pyrrolizin-1-yl)methyl 3,5-bis(3-methylbut-2-en-1-yl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]benzoateFormula:
C30H43O7NSmiles:
CC(C)=CCc1cc(C(=O)OCC2CCN3CCCC23)cc(CC=C(C)C)c1OC1OCC(O)C(O)C1OAglycone:
CC(C)=CCc1cc(C(=O)OCC2CCN3CCCC23)cc(CC=C(C)C)c1OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.63 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 9 |
| MolWt: | 529.67 | Num_heavy_atoms: | 38 |
| 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 |
