Glycoside
GD120858
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 5-{8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl}-3-methylpenta-2,4-dienoateFormula:
C21H30O10Smiles:
CC(C=CC1(O)C2(C)COC1(C)CC(=O)C2)=CC(=O)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C=CC1(O)C2(C)COC1(C)CC(=O)C2)=CC(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 442.46 | Num_heavy_atoms: | 31 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD48595
Formula: C15H20O5
Smiles:
CC(C=CC1(O)C2(C)COC1(C)CC(=O)C2)=CC(=O)O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 280.32 | Num_heavy_atoms: | 20 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
