Glycoside
GD122775
Name:
4-hydroxy-3,5,5-trimethyl-4-(3-oxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl)cyclohex-2-en-1-oneFormula:
C19H28O9Smiles:
CC1=CC(=O)CC(C)(C)C1(O)C=CC(=O)COC1OC(CO)C(O)C(O)C1OAglycone:
CC1=CC(=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: | 0.68 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 400.42 | Num_heavy_atoms: | 28 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD49511
Formula: C13H18O4
Smiles:
CC1=CC(=O)CC(C)(C)C1(O)C=CC(=O)CO| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.54 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 238.28 | Num_heavy_atoms: | 17 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
