Glycoside
GD118040
Name:
2-[(4-hydroxy-3,7-dimethylocta-2,6-dien-1-yl)oxy]-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C21H36O11Smiles:
CC(C)=CCC(O)C(C)=CCOC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC(C)=CCC(O)C(C)=CCOSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.81 |
| AlogP: | -2.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 464.51 | Num_heavy_atoms: | 32 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD29360
Formula: C10H18O2
Smiles:
CC(C)=CCC(O)C(C)=CCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 170.25 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
