Glycoside
...
GD003730

Name:
None

Formula:
C14H22O11N2S

Smiles:
CC(=O)OC[C@@H]1O[C@H](NS(N)(=O)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.NS(N)(=O)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 1
HBD: 3 FractionCSP3: 0.71
AlogP: -2.14 Num_rotatable_bonds: 7
MolWt: 426.4 Num_heavy_atoms: 28
TPSA: 186.62 NumAromaticRings: 0

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
AD03347
Formula: H4O2N2S

Smiles:
NS(N)(=O)=O
HBA: 4 RingCount: 0
HBD: 4 FractionCSP3: 0.0
AlogP: -1.85 Num_rotatable_bonds: 0
MolWt: 96.11 Num_heavy_atoms: 5
TPSA: 86.18 NumAromaticRings: 0

Sugarmoiety
SD00012

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