Glycoside
GD128465
Name:
3-methyl-5-(2,6,6-trimethyl-4-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-yl)penta-2,4-dienoic acidFormula:
C21H30O9Smiles:
CC(C=CC1(OC2OC(CO)C(O)C(O)C2O)C(C)=CC(=O)CC1(C)C)=CC(=O)OAglycone:
CC(C=CC1(O)C(C)=CC(=O)CC1(C)C)=CC(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 426.46 | Num_heavy_atoms: | 30 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD50879
Formula: C15H20O4
Smiles:
CC(C=CC1(O)C(C)=CC(=O)CC1(C)C)=CC(=O)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 264.32 | Num_heavy_atoms: | 19 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
