Glycoside
GD137515
Name:
1,4-dimethyl 2-(acetyloxy)-3-({3-[4-(acetyloxy)phenyl]prop-2-enoyl}oxy)butanedioateFormula:
C19H20O10Smiles:
COC(=O)C(OC(C)=O)C(OC(=O)C=Cc1ccc(OC(C)=O)cc1)C(=O)OCAglycone:
CC(=O)Oc1ccc(C=CC=O)cc1Sugarmoiety:
COC(=O)C(OO)C(OC(C)=O)C(=O)OCOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.32 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 8 |
| MolWt: | 408.36 | Num_heavy_atoms: | 29 |
| TPSA: | 131.5 | NumAromaticRings: | 1 |
Unique Aglycone
AD55553
Formula: C11H10O3
Smiles:
CC(=O)Oc1ccc(C=CC=O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.09 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 190.2 | Num_heavy_atoms: | 14 |
| TPSA: | 43.37 | NumAromaticRings: | 1 |
