Glycoside
GD125366
Name:
(3S)â€8â€[(6â€Oâ€Acetylâ€Î’â€Dâ€Glucopyranosyl)Oxy]â€3â€[(1E,3E,5E)â€Heptaâ€1,3,5â€Trienyl]â€3,4â€Dihydroâ€6â€Methoxyâ€5â€Methylâ€1Hâ€2â€Benzopyranâ€1â€OneFormula:
C26H32O10Smiles:
CC=CC=CC=CC1Cc2c(C)c(OC)cc(OC3OC(COC(C)=O)C(O)C(O)C3O)c2C(=O)O1Aglycone:
CC=CC=CC=CC1Cc2c(C)c(OC)cc(O)c2C(=O)O1.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.46 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 8 |
| MolWt: | 504.53 | Num_heavy_atoms: | 36 |
| TPSA: | 140.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD50701
Formula: C18H20O4
Smiles:
CC=CC=CC=CC1Cc2c(C)c(OC)cc(O)c2C(=O)O1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.28 |
| AlogP: | 3.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 300.35 | Num_heavy_atoms: | 22 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
