Glycoside
GD137800
Name:
4-{2,2,6-trimethyl-4-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]cyclohexyl}but-3-en-2-oneFormula:
C24H40O11Smiles:
CC(=O)C=CC1C(C)CC(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)CC1(C)CAglycone:
CC(=O)C=CC1C(C)CC(O)CC1(C)CSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 504.57 | Num_heavy_atoms: | 35 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD15661
Formula: C13H22O2
Smiles:
CC(=O)C=CC1C(C)CC(O)CC1(C)C| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 210.32 | Num_heavy_atoms: | 15 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
