Glycoside
...
GD095492

Name:
None

Formula:
C18H32O11NS

Smiles:
COc1cc(C[C@@H](C)[NH2+][C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cc(OC)c1OC

Aglycone:
COS(O)(O)O.COc1cc(CC(C)[NH3+])cc(OC)c1OC

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 8 FractionCSP3: 0.67
AlogP: -0.83 Num_rotatable_bonds: 10
MolWt: 470.52 Num_heavy_atoms: 31
TPSA: 184.14 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
AD35180
Formula: C12H20O3N

Smiles:
COc1cc(CC(C)[NH3+])cc(OC)c1OC
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.5
AlogP: 0.89 Num_rotatable_bonds: 5
MolWt: 226.3 Num_heavy_atoms: 16
TPSA: 55.33 NumAromaticRings: 1

Sugarmoiety
SD03900

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