Glycoside
GD129391
Name:
5-ethyl-6-(2-methoxy-2-oxoethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-1-ene-1-carboxylic acidFormula:
C18H28O10Smiles:
CCC1C(OC2OC(CO)C(O)C(O)C2O)CC=C(C(=O)O)C1CC(=O)OCAglycone:
CCC1C(O)CC=C(C(=O)O)C1CC(=O)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.78 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 404.41 | Num_heavy_atoms: | 28 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD52415
Formula: C12H18O5
Smiles:
CCC1C(O)CC=C(C(=O)O)C1CC(=O)OC| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 4 |
| MolWt: | 242.27 | Num_heavy_atoms: | 17 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
