Glycoside

GD139694
Name:
(3S)â€8â€(Î’â€Dâ€Glucopyranosyloxy)â€3â€[(1E,3E,5E)â€Heptaâ€1,3,5â€Trienyl]â€3,4â€Dihydroâ€6â€Hydroxyâ€5â€Methylâ€1Hâ€2â€Benzopyranâ€1â€OneFormula:
C23H28O9Smiles:
CC=CC=CC=CC1Cc2c(C)c(O)cc(OC3OC(CO)C(O)C(O)C3O)c2C(=O)O1Aglycone:
CC=CC=CC=CC1Cc2c(C)c(O)cc(O)c2C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 9 | RingCount: | 3 |
HBD: | 5 | FractionCSP3: | 0.43 |
AlogP: | 0.65 | Num_rotatable_bonds: | 6 |
MolWt: | 448.47 | Num_heavy_atoms: | 32 |
TPSA: | 145.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD56333
Formula: C17H18O4
Smiles:
CC=CC=CC=CC1Cc2c(C)c(O)cc(O)c2C(=O)O1HBA: | 4 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.24 |
AlogP: | 3.18 | Num_rotatable_bonds: | 3 |
MolWt: | 286.33 | Num_heavy_atoms: | 21 |
TPSA: | 66.76 | NumAromaticRings: | 1 |