Glycoside
GD132739
Name:
5,5-dimethyl-3-oxo-6-(3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}butyl)cyclohex-1-ene-1-carboxylic acidFormula:
C25H40O14Smiles:
CC(CCC1C(C(=O)O)=CC(=O)CC1(C)C)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC(O)CCC1C(C(=O)O)=CC(=O)CC1(C)CSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.84 |
| AlogP: | -2.58 | Num_rotatable_bonds: | 10 |
| MolWt: | 564.58 | Num_heavy_atoms: | 39 |
| TPSA: | 232.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD38079
Formula: C13H20O4
Smiles:
CC(O)CCC1C(C(=O)O)=CC(=O)CC1(C)C| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 240.3 | Num_heavy_atoms: | 17 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
