Glycoside
GD128878
Name:
2-{2-[1,4a,5-trimethyl-2-({[3,4,5-tris(acetyloxy)oxan-2-yl]oxy}methyl)-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]ethyl}-4-(acetyloxy)but-2-en-1-yl acetateFormula:
C35H52O12Smiles:
CC(=O)OCC=C(CCC1(C)C(COC2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)CCC2(C)C(C)=CCCC21)COC(C)=OAglycone:
CC(=O)OCC=C(CCC1(C)C(CO)CCC2(C)C(C)=CCCC21)COC(C)=OSugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.74 |
| AlogP: | 4.77 | Num_rotatable_bonds: | 13 |
| MolWt: | 664.79 | Num_heavy_atoms: | 47 |
| TPSA: | 149.96 | NumAromaticRings: | 0 |
Unique Aglycone
AD52201
Formula: C24H38O5
Smiles:
CC(=O)OCC=C(CCC1(C)C(CO)CCC2(C)C(C)=CCCC21)COC(C)=O| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 4.59 | Num_rotatable_bonds: | 8 |
| MolWt: | 406.56 | Num_heavy_atoms: | 29 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
