Glycoside
GD092257
Name:
5-[1-hydroxy-2,6-dimethyl-4-oxo-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acidFormula:
C21H30O10Smiles:
CC1=CC(=O)C[C@](C)(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]1(O)/C=C/C(C)=C/C(=O)OAglycone:
CC(C=CC1(O)C(C)=CC(=O)CC1(C)CO)=CC(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 7 |
| MolWt: | 442.46 | Num_heavy_atoms: | 31 |
| TPSA: | 173.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD40262
Formula: C15H20O5
Smiles:
CC(C=CC1(O)C(C)=CC(=O)CC1(C)CO)=CC(=O)O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 280.32 | Num_heavy_atoms: | 20 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
