Glycoside
...
GD124058

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

Formula:
C27H36O12

Smiles:
COC(=O)C1=CC(O)CC2C(C)(CC(OC3OC(CO)C(O)C(O)C3O)c3ccoc3)C3CC(OC3=O)C12C

Aglycone:
COC(=O)C1=CC(O)CC2C(C)(CC(O)c3ccoc3)C3CC(OC3=O)C12C

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

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 5 FractionCSP3: 0.7
AlogP: -0.03 Num_rotatable_bonds: 7
MolWt: 552.57 Num_heavy_atoms: 39
TPSA: 185.35 NumAromaticRings: 1

Unique Aglycone
AD50090
Formula: C21H26O7

Smiles:
COC(=O)C1=CC(O)CC2C(C)(CC(O)c3ccoc3)C3CC(OC3=O)C12C
HBA: 7 RingCount: 4
HBD: 2 FractionCSP3: 0.62
AlogP: 2.14 Num_rotatable_bonds: 4
MolWt: 390.43 Num_heavy_atoms: 28
TPSA: 106.2 NumAromaticRings: 1

Sugarmoiety
SD00003

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