Glycoside
GD157457
Name:
3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl 3,7-dimethylocta-2,6-dienoateFormula:
C21H34O11Smiles:
CC(C)=CCCC(C)=CC(=O)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC(C)=CCCC(C)=CC(=O)OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 8 |
| MolWt: | 462.49 | Num_heavy_atoms: | 32 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD01637
Formula: C10H16O2
Smiles:
CC(C)=CCCC(C)=CC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 4 |
| MolWt: | 168.24 | Num_heavy_atoms: | 12 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
