Glycoside
GD124584
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl hex-2-enoateFormula:
C12H20O7Smiles:
CCCC=CC(=O)OC1OC(CO)C(O)C(O)C1OAglycone:
CCCC=CC(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 276.28 | Num_heavy_atoms: | 19 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD50340
Formula: C6H10O2
Smiles:
CCCC=CC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 114.14 | Num_heavy_atoms: | 8 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
