Glycoside
GD154103
Name:
4-(1-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-3-en-2-yl)-3-methylideneoxan-2-oneFormula:
C16H24O9Smiles:
C=CC(C(O)OC1OC(CO)C(O)C(O)C1O)C1CCOC(=O)C1=CAglycone:
C=CC(C(O)O)C1CCOC(=O)C1=CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 6 |
| MolWt: | 360.36 | Num_heavy_atoms: | 25 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD61249
Formula: C10H14O4
Smiles:
C=CC(C(O)O)C1CCOC(=O)C1=C| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 198.22 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
