Glycoside
GD137987
Name:
7-methoxy-2-methyl-6-[(3-methylbut-2-en-1-yl)oxy]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C22H28O10Smiles:
COc1cc2oc(C)cc(=O)c2c(OC2OC(CO)C(O)C(O)C2O)c1OCC=C(C)CAglycone:
COc1cc2oc(C)cc(=O)c2c(O)c1OCC=C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 7 |
| MolWt: | 452.46 | Num_heavy_atoms: | 32 |
| TPSA: | 148.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD55719
Formula: C16H18O5
Smiles:
COc1cc2oc(C)cc(=O)c2c(O)c1OCC=C(C)C| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 290.31 | Num_heavy_atoms: | 21 |
| TPSA: | 68.9 | NumAromaticRings: | 2 |
