Glycoside
...
GD106779

Name:
None

Formula:
C35H42O21S

Smiles:
CC(=O)OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](OC(=O)c4ccc(OC(C)=O)cc4)[C@@H](OS(C)(=O)=O)[C@@](O)(COC(C)=O)[C@@H]23)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CC(=O)OCC1(O)C(OS(C)(=O)=O)C(OC(=O)c2ccc(OC(C)=O)cc2)C2C=COC(O)C21.COC(C)=O

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

Other Identifiers

Properties
HBA: 21 RingCount: 4
HBD: 1 FractionCSP3: 0.57
AlogP: -0.01 Num_rotatable_bonds: 14
MolWt: 830.77 Num_heavy_atoms: 57
TPSA: 275.39 NumAromaticRings: 1

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
AD44208
Formula: C21H24O12S

Smiles:
CC(=O)OCC1(O)C(OS(C)(=O)=O)C(OC(=O)c2ccc(OC(C)=O)cc2)C2C=COC(O)C21
HBA: 12 RingCount: 3
HBD: 2 FractionCSP3: 0.48
AlogP: -0.12 Num_rotatable_bonds: 7
MolWt: 500.48 Num_heavy_atoms: 34
TPSA: 171.96 NumAromaticRings: 1

Sugarmoiety
SD00012

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