Glycoside
GD121623
Name:
3-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-2-[(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]butanoic acidFormula:
C27H36O12Smiles:
COc1ccc(CC(CO)C(Cc2ccc(OC3OC(CO)C(O)C(O)C3O)c(OC)c2)C(=O)O)cc1OCAglycone:
COc1cc(CC(C(=O)O)C(CO)Cc2ccc(OC)c(OC)c2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 13 |
| MolWt: | 552.57 | Num_heavy_atoms: | 39 |
| TPSA: | 184.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD48967
Formula: C21H26O7
Smiles:
COc1cc(CC(C(=O)O)C(CO)Cc2ccc(OC)c(OC)c2)ccc1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 10 |
| MolWt: | 390.43 | Num_heavy_atoms: | 28 |
| TPSA: | 105.45 | NumAromaticRings: | 2 |
