Glycoside
...
GD010742

Name:
[3,4,6-tris(acetyloxy)-5-{[3,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-4-{[3,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-4-{[3,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-4-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]oxy}oxan-2-yl]oxy}oxan-2-yl]oxy}oxan-2-yl]methyl acetate

Formula:
C64H86O43

Smiles:
CC(=O)OC[C@@H]1OC(OC(C)=O)[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](O[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](O[C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](O[C@@H]5O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)[C@H]4OC(C)=O)[C@H]3OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.COC(C)=O.COC(C)=O.COC(C)=O.COC(C)=O

Sugarmoiety:
CC(=O)OCC1OC(OC(C)=O)C(OC2OC(COC(C)=O)C(OC(C)=O)C(OC3OC(O)OC(OC4OC(O)OC(OC5OC(O)C(OC(C)=O)C(OC(C)=O)C5OC(C)=O)C4OC(C)=O)C3OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 43 RingCount: 5
HBD: 0 FractionCSP3: 0.73
AlogP: -2.22 Num_rotatable_bonds: 30
MolWt: 1543.35 Num_heavy_atoms: 107
TPSA: 530.17 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

Sugarmoiety
SD01583

CC(=O)OCC1OC(OC(C)=O)C(OC2OC(COC(C)=O)C(OC(C)=O)C(OC3OC(O)OC(OC4OC(O)OC(OC5OC(O)C(OC(C)=O)C(OC(C)=O)C5OC(C)=O)C4OC(C)=O)C3OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O