Glycoside
GD126008
Name:
5-hydroxy-8-(3-methylbut-2-en-1-yl)-2-phenyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-oneFormula:
C32H38O14Smiles:
CC(C)=CCc1c(OC2OC(CO)C(O)C(O)C2O)cc(O)c2c(=O)c(OC3OC(C)C(O)C(O)C3O)c(-c3ccccc3)oc12Aglycone:
CC(C)=CCc1c(O)cc(O)c2c(=O)c(O)c(-c3ccccc3)oc12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.47 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 8 |
| MolWt: | 646.64 | Num_heavy_atoms: | 46 |
| TPSA: | 228.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD50969
Formula: C20H18O5
Smiles:
CC(C)=CCc1c(O)cc(O)c2c(=O)c(O)c(-c3ccccc3)oc12| 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 |
