Glycoside
GD135655
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 3-methylbut-2-enoateFormula:
C11H18O7Smiles:
CC(C)=CC(=O)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C)=CC(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 262.26 | Num_heavy_atoms: | 18 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD00258
Formula: C5H8O2
Smiles:
CC(C)=CC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 100.12 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
