Glycoside
...
GD025870

Name:
None

Formula:
C22H30O11N2S2

Smiles:
CC(=O)OC[C@@H]1O[C@H](SNCCc2ccc(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(CCNS)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: 0.55
AlogP: 0.2 Num_rotatable_bonds: 11
MolWt: 562.62 Num_heavy_atoms: 37
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
AD13240
Formula: C8H12O2N2S2

Smiles:
NS(=O)(=O)c1ccc(CCNS)cc1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.25
AlogP: 0.31 Num_rotatable_bonds: 4
MolWt: 232.33 Num_heavy_atoms: 14
TPSA: 72.19 NumAromaticRings: 1

Sugarmoiety
SD00012

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