Glycoside
GD152408
Name:
4-methyl 1-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2-benzyl-2-hydroxybutanedioateFormula:
C25H30O11Smiles:
COC(=O)CC(O)(Cc1ccccc1)C(=O)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
COC(=O)CC(O)(Cc1ccccc1)C(=O)OCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 10 |
| MolWt: | 506.5 | Num_heavy_atoms: | 36 |
| TPSA: | 172.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD60686
Formula: C19H20O6
Smiles:
COC(=O)CC(O)(Cc1ccccc1)C(=O)OCc1ccc(O)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.26 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 7 |
| MolWt: | 344.36 | Num_heavy_atoms: | 25 |
| TPSA: | 93.06 | NumAromaticRings: | 2 |
