Glycoside
...
GD005396

Name:
None

Formula:
C21H28O11N2S2

Smiles:
CC(=O)OC[C@@H]1O[C@H](SNCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.NS(=O)(=O)c1ccc(CNS)cc1

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 3 FractionCSP3: 0.52
AlogP: 0.15 Num_rotatable_bonds: 10
MolWt: 548.59 Num_heavy_atoms: 36
TPSA: 186.62 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
AD02188
Formula: C7H10O2N2S2

Smiles:
NS(=O)(=O)c1ccc(CNS)cc1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.14
AlogP: 0.27 Num_rotatable_bonds: 3
MolWt: 218.3 Num_heavy_atoms: 13
TPSA: 72.19 NumAromaticRings: 1

Sugarmoiety
SD00012

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