Glycoside
GD142877
Name:
3-[2-(benzoyloxy)ethylidene]-4-(2-methoxy-2-oxoethyl)-2-[(2,3,4,5-tetrahydroxy-6-oxohexyl)oxy]-3,4-dihydro-2H-pyran-5-carboxylic acidFormula:
C24H28O13Smiles:
COC(=O)CC1C(C(=O)O)=COC(OCC(O)C(O)C(O)C(O)C=O)C1=CCOC(=O)c1ccccc1Aglycone:
COC(=O)CC1C(=CCOC(=O)c2ccccc2)COC=C1C(=O)OSugarmoiety:
O=CC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 13 |
| MolWt: | 524.48 | Num_heavy_atoms: | 37 |
| TPSA: | 206.35 | NumAromaticRings: | 1 |
Unique Aglycone
AD57487
Formula: C18H18O7
Smiles:
COC(=O)CC1C(=CCOC(=O)c2ccccc2)COC=C1C(=O)O| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.28 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 346.34 | Num_heavy_atoms: | 25 |
| TPSA: | 99.13 | NumAromaticRings: | 1 |
