Glycoside
...
GD139430

Name:
methyl 8-[2-(2-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl]-2,8-dimethyl-10-oxo-11-oxatricyclo[7.2.1.0²,⁷]dodec-3-ene-3-carboxylate

Formula:
C27H36O13

Smiles:
COC(=O)C1=CCCC2C(C)(CC(OC3OC(CO)C(O)C(O)C3O)C3=CC(=O)OC3O)C3CC(OC3=O)C12C

Aglycone:
COC(=O)C1=CCCC2C(C)(CC(O)C3=CC(=O)OC3O)C3CC(OC3=O)C12C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 5 FractionCSP3: 0.74
AlogP: -1.17 Num_rotatable_bonds: 7
MolWt: 568.57 Num_heavy_atoms: 40
TPSA: 198.51 NumAromaticRings: 0

Unique Aglycone
AD56223
Formula: C21H26O8

Smiles:
COC(=O)C1=CCCC2C(C)(CC(O)C3=CC(=O)OC3O)C3CC(OC3=O)C12C
HBA: 8 RingCount: 4
HBD: 2 FractionCSP3: 0.67
AlogP: 1.01 Num_rotatable_bonds: 4
MolWt: 406.43 Num_heavy_atoms: 29
TPSA: 119.36 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O