Glycoside
...
GD076320

Name:
None

Formula:
C14H27O8N2S

Smiles:
C[C@]1(C#N)CC[C@H]([NH2+][C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CC1

Aglycone:
CC1(C#N)CCC([NH3+])CC1.COS(O)(O)O

Sugarmoiety:
OC1OC(O)C([OH2+])C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 8 FractionCSP3: 0.93
AlogP: -1.01 Num_rotatable_bonds: 5
MolWt: 383.44 Num_heavy_atoms: 25
TPSA: 180.24 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
AD26822
Formula: C8H15N2

Smiles:
CC1(C#N)CCC([NH3+])CC1
HBA: 2 RingCount: 1
HBD: 3 FractionCSP3: 0.88
AlogP: 0.7 Num_rotatable_bonds: 0
MolWt: 139.22 Num_heavy_atoms: 10
TPSA: 51.43 NumAromaticRings: 0

Sugarmoiety
SD03900

OC1OC(O)C([OH2+])C(O)C1O