Glycoside
GD139409
Name:
3-[(3,4-dimethoxyphenyl)methyl]-5-[(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]oxolan-2-oneFormula:
C27H34O11Smiles:
COc1ccc(CC2CC(Cc3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)OC2=O)cc1OCAglycone:
COc1cc(CC2CC(Cc3ccc(OC)c(OC)c3)C(=O)O2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 10 |
| MolWt: | 534.56 | Num_heavy_atoms: | 38 |
| TPSA: | 153.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD56211
Formula: C21H24O6
Smiles:
COc1cc(CC2CC(Cc3ccc(OC)c(OC)c3)C(=O)O2)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 3.13 | Num_rotatable_bonds: | 7 |
| MolWt: | 372.42 | Num_heavy_atoms: | 27 |
| TPSA: | 74.22 | NumAromaticRings: | 2 |
