Glycoside
...
GD088946

Name:
None

Formula:
C12H23O10NS3

Smiles:
C[S@](=O)/C=C\CC/C(=N\OS(O)(O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Aglycone:
CS(=O)C=CCCC(S)=NOS(O)(O)O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 1
HBD: 7 FractionCSP3: 0.75
AlogP: -0.34 Num_rotatable_bonds: 8
MolWt: 437.51 Num_heavy_atoms: 26
TPSA: 189.5 NumAromaticRings: 0

Unique Aglycone
AD38888
Formula: C6H13O5NS3

Smiles:
CS(=O)C=CCCC(S)=NOS(O)(O)O
HBA: 6 RingCount: 0
HBD: 3 FractionCSP3: 0.5
AlogP: 2.06 Num_rotatable_bonds: 6
MolWt: 275.37 Num_heavy_atoms: 15
TPSA: 99.35 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O