Glycoside
GD152705
Name:
methyl 5-(2-hydroxyethylidene)-6-{2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl}-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-1-ene-1-carboxylateFormula:
C26H34O12Smiles:
COC(=O)C1=CCC(OC2OC(CO)C(O)C(O)C2O)C(=CCO)C1CC(=O)OCCc1ccc(O)cc1Aglycone:
COC(=O)C1=CCC(O)C(=CCO)C1CC(=O)OCCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 10 |
| MolWt: | 538.55 | Num_heavy_atoms: | 38 |
| TPSA: | 192.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD60780
Formula: C20H24O7
Smiles:
COC(=O)C1=CCC(O)C(=CCO)C1CC(=O)OCCc1ccc(O)cc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 7 |
| MolWt: | 376.41 | Num_heavy_atoms: | 27 |
| TPSA: | 113.29 | NumAromaticRings: | 1 |
