Glycoside
...
GD067217

Name:
None

Formula:
C12H22O8N2S

Smiles:
N#C[C@@H]1CC[C@@H](N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)C1

Aglycone:
COS(O)(O)O.N#CC1CCC(N)C1

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

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 7 FractionCSP3: 0.92
AlogP: -0.77 Num_rotatable_bonds: 5
MolWt: 354.38 Num_heavy_atoms: 23
TPSA: 175.66 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
AD25099
Formula: C6H10N2

Smiles:
N#CC1CCC(N)C1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.83
AlogP: 0.64 Num_rotatable_bonds: 0
MolWt: 110.16 Num_heavy_atoms: 8
TPSA: 49.81 NumAromaticRings: 0

Sugarmoiety
SD00017

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