Glycoside
GD130193
Name:
4-hydroxy-3,3,5-trimethyl-4-(3-oxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl)cyclohexan-1-oneFormula:
C19H30O9Smiles:
CC1CC(=O)CC(C)(C)C1(O)C=CC(=O)COC1OC(CO)C(O)C(O)C1OAglycone:
CC1CC(=O)CC(C)(C)C1(O)C=CC(=O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 6 |
| MolWt: | 402.44 | Num_heavy_atoms: | 28 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD52754
Formula: C13H20O4
Smiles:
CC1CC(=O)CC(C)(C)C1(O)C=CC(=O)CO| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 240.3 | Num_heavy_atoms: | 17 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
