Glycoside
GD119903
Name:
IsooleuropeinFormula:
C25H32O13Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OCCc2ccc(O)c(O)c2)C1CC(=O)OCAglycone:
CC=C1C(O)OC=C(C(=O)OCCc2ccc(O)c(O)c2)C1CC(=O)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 9 |
| MolWt: | 540.52 | Num_heavy_atoms: | 38 |
| TPSA: | 201.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD48113
Formula: C19H22O8
Smiles:
CC=C1C(O)OC=C(C(=O)OCCc2ccc(O)c(O)c2)C1CC(=O)OC| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 378.38 | Num_heavy_atoms: | 27 |
| TPSA: | 122.52 | NumAromaticRings: | 1 |
