Glycoside
GD117868
Name:
4,5-bis(acetyloxy)-6-({4,5-dihydroxy-2-[(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl)oxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-3-yl}oxy)-2-methyloxan-3-yl acetateFormula:
C44H70O17Smiles:
CC(=O)OC1C(C)OC(OC2C(OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)OC(COC3OC(C)C(O)C(O)C3O)C(O)C2O)C(OC(C)=O)C1OC(C)=OAglycone:
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOSugarmoiety:
CC(=O)OC1C(C)OC(OC2C(O)OC(COC3OC(C)C(O)C(O)C3O)C(O)C2O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 20 |
| MolWt: | 871.03 | Num_heavy_atoms: | 61 |
| TPSA: | 235.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD18884
Formula: C20H34O
Smiles:
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 6.12 | Num_rotatable_bonds: | 10 |
| MolWt: | 290.49 | Num_heavy_atoms: | 21 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
