Glycoside
...
GD141028

Name:
4,5-bis(acetyloxy)-3-hydroxy-3-{[3,4,5-tris(acetyloxy)benzoyloxy]methyl}oxan-2-yl 3,4,5-tris(acetyloxy)benzoate

Formula:
C36H36O22

Smiles:
CC(=O)Oc1cc(C(=O)OCC2(O)C(OC(=O)c3cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c3)OCC(OC(C)=O)C2OC(C)=O)cc(OC(C)=O)c1OC(C)=O

Aglycone:
CC(=O)Oc1cc(C(=O)O)cc(OC(C)=O)c1OC(C)=O.COC(=O)c1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1

Sugarmoiety:
CC(=O)OC1COOC(O)(CO)C1OC(C)=O

Other Identifiers

Properties
HBA: 22 RingCount: 3
HBD: 1 FractionCSP3: 0.39
AlogP: 1.2 Num_rotatable_bonds: 13
MolWt: 820.66 Num_heavy_atoms: 58
TPSA: 292.46 NumAromaticRings: 2

Unique Aglycone
AD48301
Formula: C14H14O8

Smiles:
COC(=O)c1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1
HBA: 8 RingCount: 1
HBD: 0 FractionCSP3: 0.29
AlogP: 1.25 Num_rotatable_bonds: 4
MolWt: 310.26 Num_heavy_atoms: 22
TPSA: 105.2 NumAromaticRings: 1
AD50343
Formula: C13H12O8

Smiles:
CC(=O)Oc1cc(C(=O)O)cc(OC(C)=O)c1OC(C)=O
HBA: 8 RingCount: 1
HBD: 1 FractionCSP3: 0.23
AlogP: 1.16 Num_rotatable_bonds: 4
MolWt: 296.23 Num_heavy_atoms: 21
TPSA: 116.2 NumAromaticRings: 1

Sugarmoiety
SD08656

CC(=O)OC1COOC(O)(CO)C1OC(C)=O