Glycoside
GD116555
Name:
5-(8-hydroxy-1,5-dimethyl-7-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-oxabicyclo[3.2.1]octan-8-yl)-3-methylpenta-2,4-dienoic acidFormula:
C21H30O11Smiles:
CC(C=CC1(O)C2(C)CC(OC3OC(CO)C(O)C(O)C3O)CC1(C)C(=O)O2)=CC(=O)OAglycone:
CC(C=CC1(O)C2(C)CC(O)CC1(C)C(=O)O2)=CC(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 458.46 | Num_heavy_atoms: | 32 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD46304
Formula: C15H20O6
Smiles:
CC(C=CC1(O)C2(C)CC(O)CC1(C)C(=O)O2)=CC(=O)O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 296.32 | Num_heavy_atoms: | 21 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
