Glycoside

GD128851
Name:
5-hydroxy-8-(3-methylbut-2-en-1-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-oneFormula:
C32H38O15Smiles:
CC(C)=CCc1c(OC2OC(CO)C(O)C(O)C2O)cc(O)c2c(=O)cc(-c3ccc(OC4OC(CO)C(O)C(O)C4O)cc3)oc12Aglycone:
CC(C)=CCc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 15 | RingCount: | 5 |
HBD: | 9 | FractionCSP3: | 0.47 |
AlogP: | -0.97 | Num_rotatable_bonds: | 9 |
MolWt: | 662.64 | Num_heavy_atoms: | 47 |
TPSA: | 249.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD52189
Formula: C20H18O5
Smiles:
CC(C)=CCc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12HBA: | 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 |