Glycoside
GD115543
Name:
1,1,4a,6-tetramethyl-5-(3-oxobutyl)-3-{[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl 2-methylbut-2-enoateFormula:
C35H52O11Smiles:
CC=C(C)C(=O)OC1C(OC2OC(C)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)CC2(C)C(CCC(C)=O)C(C)=CCC2C1(C)CAglycone:
CC=C(C)C(=O)OC1C(O)CC2(C)C(CCC(C)=O)C(C)=CCC2C1(C)CSugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.74 |
| AlogP: | 5.18 | Num_rotatable_bonds: | 10 |
| MolWt: | 648.79 | Num_heavy_atoms: | 46 |
| TPSA: | 140.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD45726
Formula: C23H36O4
Smiles:
CC=C(C)C(=O)OC1C(O)CC2(C)C(CCC(C)=O)C(C)=CCC2C1(C)C| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.74 |
| AlogP: | 4.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 376.54 | Num_heavy_atoms: | 27 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
