Glycoside
GD143943
Name:
(hexahydro-1H-pyrrolizin-1-yl)methyl 3-(3-hydroxy-3-methylbutyl)-5-(3-methylbut-2-en-1-yl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]benzoateFormula:
C30H45O8NSmiles:
CC(C)=CCc1cc(C(=O)OCC2CCN3CCCC23)cc(CCC(C)(C)O)c1OC1OCC(O)C(O)C1OAglycone:
CC(C)=CCc1cc(C(=O)OCC2CCN3CCCC23)cc(CCC(C)(C)O)c1OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 10 |
| MolWt: | 547.69 | Num_heavy_atoms: | 39 |
| TPSA: | 128.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD57874
Formula: C25H37O4N
Smiles:
CC(C)=CCc1cc(C(=O)OCC2CCN3CCCC23)cc(CCC(C)(C)O)c1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.64 |
| AlogP: | 4.25 | Num_rotatable_bonds: | 8 |
| MolWt: | 415.57 | Num_heavy_atoms: | 30 |
| TPSA: | 70.0 | NumAromaticRings: | 1 |
