Glycoside
...
GD103673

Name:
None

Formula:
C20H24O12S

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

Aglycone:
COC(C)=O.CS(=O)(=O)O.O=C(O)c1ccccc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 0 FractionCSP3: 0.5
AlogP: 0.34 Num_rotatable_bonds: 8
MolWt: 488.47 Num_heavy_atoms: 33
TPSA: 157.8 NumAromaticRings: 1

Unique Aglycone
AD00002
Formula: C7H6O2

Smiles:
O=C(O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.38 Num_rotatable_bonds: 1
MolWt: 122.12 Num_heavy_atoms: 9
TPSA: 37.3 NumAromaticRings: 1
AD00013
Formula: CH4O3S

Smiles:
CS(=O)(=O)O
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: -0.5 Num_rotatable_bonds: 0
MolWt: 96.11 Num_heavy_atoms: 5
TPSA: 54.37 NumAromaticRings: 0
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
SD00013

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