Glycoside
GD122116
Name:
4-{2-[2-(3,4-dihydroxyphenyl)-2-ethoxyethoxy]-2-oxoethyl}-3-ethylidene-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acidFormula:
C26H34O14Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCC(OCC)c1ccc(O)c(O)c1Aglycone:
CC=C1C(O)OC=C(C(=O)O)C1CC(=O)OCC(OCC)c1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 11 |
| MolWt: | 570.54 | Num_heavy_atoms: | 40 |
| TPSA: | 221.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD49191
Formula: C20H24O9
Smiles:
CC=C1C(O)OC=C(C(=O)O)C1CC(=O)OCC(OCC)c1ccc(O)c(O)c1| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 8 |
| MolWt: | 408.4 | Num_heavy_atoms: | 29 |
| TPSA: | 142.75 | NumAromaticRings: | 1 |
