Glycoside
GD139189
Name:
[3,4,5-tris(acetyloxy)-6-(hex-3-en-1-yloxy)oxan-2-yl]methyl acetateFormula:
C20H30O10Smiles:
CCC=CCCOC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CCC=CCCO.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.7 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 10 |
| MolWt: | 430.45 | Num_heavy_atoms: | 30 |
| TPSA: | 123.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD11558
Formula: C6H12O
Smiles:
CCC=CCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 100.16 | Num_heavy_atoms: | 7 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
