Glycoside
...
GD140641

Name:
[3,4,5-tris(acetyloxy)-6-{[4,5-bis(acetyloxy)-2-methyl-6-({5,5,11-trimethyl-2,4,6,10,12-pentaoxatricyclo[7.4.0.0³,⁷]tridecan-8-yl}oxy)oxan-3-yl]oxy}oxan-2-yl]methyl acetate

Formula:
C35H50O21

Smiles:
CC(=O)OCC1OC(OC2C(C)OC(OC3C4OC(C)OCC4OC4OC(C)(C)OC43)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
CC1OCC2OC3OC(C)(C)OC3C(O)C2O1.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(C)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 21 RingCount: 5
HBD: 0 FractionCSP3: 0.83
AlogP: 0.09 Num_rotatable_bonds: 11
MolWt: 806.76 Num_heavy_atoms: 56
TPSA: 240.87 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
AD56702
Formula: C11H18O6

Smiles:
CC1OCC2OC3OC(C)(C)OC3C(O)C2O1
HBA: 6 RingCount: 3
HBD: 1 FractionCSP3: 1.0
AlogP: -0.01 Num_rotatable_bonds: 0
MolWt: 246.26 Num_heavy_atoms: 17
TPSA: 66.38 NumAromaticRings: 0

Sugarmoiety
SD08601

CC(=O)OC1C(O)OC(C)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O