Glycoside
...
GD086804

Name:
None

Formula:
C13H26O11N2S2

Smiles:
CS(=O)(=O)N1CCC(C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CC1

Aglycone:
COS(O)(O)O.CS(=O)(=O)N1CCC(C(N)=O)CC1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 7 FractionCSP3: 0.92
AlogP: -2.26 Num_rotatable_bonds: 6
MolWt: 450.49 Num_heavy_atoms: 28
TPSA: 206.32 NumAromaticRings: 0

Unique Aglycone
AD12993
Formula: CH6O4S

Smiles:
COS(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: 0.77 Num_rotatable_bonds: 1
MolWt: 114.12 Num_heavy_atoms: 6
TPSA: 69.92 NumAromaticRings: 0
AD30781
Formula: C7H14O3N2S

Smiles:
CS(=O)(=O)N1CCC(C(N)=O)CC1
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.86
AlogP: -0.86 Num_rotatable_bonds: 2
MolWt: 206.27 Num_heavy_atoms: 13
TPSA: 80.47 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O