Glycoside
...
GD012913

Name:
None

Formula:
C23H25O11NS

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2ccc(O)c(-c3ccc(S(C)(=O)=O)cc3)c2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.CS(=O)(=O)c1ccc(-c2c(O)cc[nH]c2=O)cc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 1 FractionCSP3: 0.39
AlogP: 0.95 Num_rotatable_bonds: 7
MolWt: 523.52 Num_heavy_atoms: 36
TPSA: 164.5 NumAromaticRings: 2

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
AD09694
Formula: C12H11O4NS

Smiles:
CS(=O)(=O)c1ccc(-c2c(O)cc[nH]c2=O)cc1
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.08
AlogP: 1.15 Num_rotatable_bonds: 2
MolWt: 265.29 Num_heavy_atoms: 18
TPSA: 87.23 NumAromaticRings: 2

Sugarmoiety
SD00105

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