Glycoside
GD141618
Name:
4-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-({3-methoxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]phenyl}methyl)oxolan-2-oneFormula:
C27H34O11Smiles:
COc1ccc(CC2(OC)COC(=O)C2Cc2ccc(OC3OCC(O)C(O)C3O)c(OC)c2)cc1OCAglycone:
COc1cc(CC2C(=O)OCC2(Cc2ccc(OC)c(OC)c2)OC)ccc1OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.52 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 10 |
| MolWt: | 534.56 | Num_heavy_atoms: | 38 |
| TPSA: | 142.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD57043
Formula: C22H26O7
Smiles:
COc1cc(CC2C(=O)OCC2(Cc2ccc(OC)c(OC)c2)OC)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.41 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 8 |
| MolWt: | 402.44 | Num_heavy_atoms: | 29 |
| TPSA: | 83.45 | NumAromaticRings: | 2 |
