Glycoside
GD132499
Name:
8-(4-hydroxy-3-methylbut-2-en-1-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-oneFormula:
C20H24O9Smiles:
CC(=CCc1c(OC2OC(CO)C(O)C(O)C2O)ccc2ccc(=O)oc12)COAglycone:
CC(=CCc1c(O)ccc2ccc(=O)oc12)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 408.4 | Num_heavy_atoms: | 29 |
| TPSA: | 149.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD53653
Formula: C14H14O4
Smiles:
CC(=CCc1c(O)ccc2ccc(=O)oc12)CO| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 246.26 | Num_heavy_atoms: | 18 |
| TPSA: | 70.67 | NumAromaticRings: | 2 |
