Glycoside
...
GD071309

Name:
None

Formula:
C13H22O8N2S2

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H](N[C@@H]2CCc3ncsc3C2)[C@H]1O

Aglycone:
COS(O)(O)O.NC1CCc2ncsc2C1

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 7 FractionCSP3: 0.77
AlogP: -0.45 Num_rotatable_bonds: 5
MolWt: 398.46 Num_heavy_atoms: 25
TPSA: 164.76 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
AD25507
Formula: C7H10N2S

Smiles:
NC1CCc2ncsc2C1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.57
AlogP: 0.96 Num_rotatable_bonds: 0
MolWt: 154.24 Num_heavy_atoms: 10
TPSA: 38.91 NumAromaticRings: 1

Sugarmoiety
SD00017

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