Glycoside
...
GD099696

Name:
None

Formula:
C20H24O11S

Smiles:
CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)c2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=[S](=O)c1ccccc1

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 0 FractionCSP3: 0.5
AlogP: 0.54 Num_rotatable_bonds: 7
MolWt: 472.47 Num_heavy_atoms: 32
TPSA: 148.57 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
AD04951
Formula: C6H5O2S

Smiles:
O=[S](=O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.0
AlogP: 0.92 Num_rotatable_bonds: 1
MolWt: 141.17 Num_heavy_atoms: 9
TPSA: 34.14 NumAromaticRings: 1

Sugarmoiety
SD00012

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