Glycoside
GD125733
Name:
4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethylidene-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acidFormula:
C24H30O13Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCc1ccc(O)c(O)c1Aglycone:
CC=C1C(O)OC=C(C(=O)O)C1CC(=O)OCCc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 9 |
| MolWt: | 526.49 | Num_heavy_atoms: | 37 |
| TPSA: | 212.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD50859
Formula: C18H20O8
Smiles:
CC=C1C(O)OC=C(C(=O)O)C1CC(=O)OCCc1ccc(O)c(O)c1| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 364.35 | Num_heavy_atoms: | 26 |
| TPSA: | 133.52 | NumAromaticRings: | 1 |
