Glycoside
GD148641
Name:
(5-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-7-yl)methyl 8-hydroxy-2,6-dimethyloct-2-enoateFormula:
C25H38O11Smiles:
CC(=CCCC(C)CCO)C(=O)OCC1=CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC(=CCCC(C)CCO)C(=O)OCC1=CC(O)C2C=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.72 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 11 |
| MolWt: | 514.57 | Num_heavy_atoms: | 36 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD59467
Formula: C19H28O6
Smiles:
CC(=CCCC(C)CCO)C(=O)OCC1=CC(O)C2C=COC(O)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.63 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 8 |
| MolWt: | 352.43 | Num_heavy_atoms: | 25 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
