Glycoside
...
GD080608

Name:
None

Formula:
C13H22O9N2S2

Smiles:
CC(C)c1csc(C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)n1

Aglycone:
CC(C)c1csc(C(N)=O)n1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 7 FractionCSP3: 0.69
AlogP: -0.04 Num_rotatable_bonds: 6
MolWt: 414.46 Num_heavy_atoms: 26
TPSA: 181.83 NumAromaticRings: 1

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
AD28859
Formula: C7H10ON2S

Smiles:
CC(C)c1csc(C(N)=O)n1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.43
AlogP: 1.37 Num_rotatable_bonds: 2
MolWt: 170.24 Num_heavy_atoms: 11
TPSA: 55.98 NumAromaticRings: 1

Sugarmoiety
SD00017

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