Glycoside
...
GD138727

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

Formula:
C39H54O20

Smiles:
COC(=O)C1=CCCC2C(C)(CC(OC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C3(O)C(OC)OC(OC)C3OC(C)=O)C3CC(OC3=O)C12C

Aglycone:
COC(=O)C1=CCCC2C(C)(CCO)C3CC(OC3=O)C12C.COC(C)=O

Sugarmoiety:
COC1OC(OC)C(O)(OOC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 20 RingCount: 5
HBD: 1 FractionCSP3: 0.77
AlogP: 0.95 Num_rotatable_bonds: 14
MolWt: 842.84 Num_heavy_atoms: 59
TPSA: 250.48 NumAromaticRings: 0

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
AD55805
Formula: C17H24O5

Smiles:
COC(=O)C1=CCCC2C(C)(CCO)C3CC(OC3=O)C12C
HBA: 5 RingCount: 3
HBD: 1 FractionCSP3: 0.76
AlogP: 1.84 Num_rotatable_bonds: 3
MolWt: 308.37 Num_heavy_atoms: 22
TPSA: 72.83 NumAromaticRings: 0

Sugarmoiety
SD08347

COC1OC(OC)C(O)(OOC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O