Glycoside
GD117132
Name:
{6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 5,8-dihydroxy-2,6-dimethylocta-2,6-dienoateFormula:
C24H34O11Smiles:
CC(=CCC(O)C(C)=CCO)C(=O)OCC1OC(OCCc2ccc(O)c(O)c2)C(O)C(O)C1OAglycone:
COC(=O)C(C)=CCC(O)C(C)=CCO.OCCc1ccc(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 11 |
| MolWt: | 498.53 | Num_heavy_atoms: | 35 |
| TPSA: | 186.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD00128
Formula: C8H10O3
Smiles:
OCCc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.16 | Num_heavy_atoms: | 11 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
AD46653
Formula: C11H18O4
Smiles:
COC(=O)C(C)=CCC(O)C(C)=CCO| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 214.26 | Num_heavy_atoms: | 15 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
