Glycoside
GD148112
Name:
5-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-oneFormula:
C32H38O14Smiles:
CC(C)=CCc1cc(-c2cc(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3o2)ccc1OAglycone:
CC(C)=CCc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.47 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 8 |
| MolWt: | 646.64 | Num_heavy_atoms: | 46 |
| TPSA: | 228.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD59284
Formula: C20H18O5
Smiles:
CC(C)=CCc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 338.36 | Num_heavy_atoms: | 25 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
