Glycoside
GD134062
Name:
4-(3,7-dimethylocta-2,6-dien-1-yl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzofuran-2-oneFormula:
C24H32O8Smiles:
CC(C)=CCCC(C)=CCc1c(OC2OC(CO)C(O)C(O)C2O)ccc2c1CC(=O)O2Aglycone:
CC(C)=CCCC(C)=CCc1c(O)ccc2c1CC(=O)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 8 |
| MolWt: | 448.51 | Num_heavy_atoms: | 32 |
| TPSA: | 125.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD54239
Formula: C18H22O3
Smiles:
CC(C)=CCCC(C)=CCc1c(O)ccc2c1CC(=O)O2| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.39 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 286.37 | Num_heavy_atoms: | 21 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
