Glycoside
...
GD076318

Name:
None

Formula:
C15H30O9NS

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

Aglycone:
C=CCOC1CCC([NH3+])CC1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 8 FractionCSP3: 0.87
AlogP: -0.97 Num_rotatable_bonds: 8
MolWt: 400.47 Num_heavy_atoms: 26
TPSA: 165.68 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
AD26820
Formula: C9H18ON

Smiles:
C=CCOC1CCC([NH3+])CC1
HBA: 2 RingCount: 1
HBD: 3 FractionCSP3: 0.78
AlogP: 0.74 Num_rotatable_bonds: 3
MolWt: 156.25 Num_heavy_atoms: 11
TPSA: 36.87 NumAromaticRings: 0

Sugarmoiety
SD03900

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