Glycoside
GD125086
Name:
{3,4-dihydroxy-5-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxolan-3-yl}methyl 3-(3,4-dimethoxyphenyl)prop-2-enoateFormula:
C22H30O13Smiles:
COc1ccc(C=CC(=O)OCC2(O)COC(OCC3OC(O)C(O)C(O)C3O)C2O)cc1OCAglycone:
COC(=O)C=Cc1ccc(OC)c(OC)c1Sugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -2.47 | Num_rotatable_bonds: | 9 |
| MolWt: | 502.47 | Num_heavy_atoms: | 35 |
| TPSA: | 193.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD07423
Formula: C12H14O4
Smiles:
COC(=O)C=Cc1ccc(OC)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 222.24 | Num_heavy_atoms: | 16 |
| TPSA: | 44.76 | NumAromaticRings: | 1 |
