Glycoside
GD139077
Name:
6-({3,4-dihydroxy-6-[(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl)oxy]-5-{[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}oxan-2-yl}methoxy)-4,5-dihydroxy-2-methyloxan-3-yl acetateFormula:
C46H72O18Smiles:
CC(=O)OC1C(C)OC(OCC2OC(OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C(OC3OC(C)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(O)C2O)C(O)C1OAglycone:
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOSugarmoiety:
CC(=O)OC1C(C)OC(OCC2OC(O)C(OC3OC(C)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 3.94 | Num_rotatable_bonds: | 21 |
| MolWt: | 913.06 | Num_heavy_atoms: | 64 |
| TPSA: | 241.5 | 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 |
Sugarmoiety
SD08392
CC(=O)OC1C(C)OC(OCC2OC(O)C(OC3OC(C)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(O)C2O)C(O)C1O