Glycoside
...
GD081080

Name:
None

Formula:
C16H28O9NS

Smiles:
COc1cccc(C[C@@H](C)[NH2+][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.COc1cccc(CC(C)[NH3+])c1

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

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 8 FractionCSP3: 0.62
AlogP: -0.85 Num_rotatable_bonds: 8
MolWt: 410.47 Num_heavy_atoms: 27
TPSA: 165.68 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
AD29201
Formula: C10H16ON

Smiles:
COc1cccc(CC(C)[NH3+])c1
HBA: 2 RingCount: 1
HBD: 3 FractionCSP3: 0.4
AlogP: 0.87 Num_rotatable_bonds: 3
MolWt: 166.24 Num_heavy_atoms: 12
TPSA: 36.87 NumAromaticRings: 1

Sugarmoiety
SD03900

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