Glycoside
GD134919
Name:
3-benzyl-3-hydroxy-4-[(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methoxy]-4-oxobutanoic acidFormula:
C25H30O12Smiles:
COc1cc(COC(=O)C(O)(CC(=O)O)Cc2ccccc2)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(COC(=O)C(O)(CC(=O)O)Cc2ccccc2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 11 |
| MolWt: | 522.5 | Num_heavy_atoms: | 37 |
| TPSA: | 192.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD54576
Formula: C19H20O7
Smiles:
COc1cc(COC(=O)C(O)(CC(=O)O)Cc2ccccc2)ccc1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.26 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 8 |
| MolWt: | 360.36 | Num_heavy_atoms: | 26 |
| TPSA: | 113.29 | NumAromaticRings: | 2 |
