Glycoside
...
GD079471

Name:
None

Formula:
C16H26O10NS

Smiles:
COc1cccc2c1C[C@@H]([NH2+][C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)CO2

Aglycone:
COS(O)(O)O.COc1cccc2c1CC([NH3+])CO2

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 8 FractionCSP3: 0.62
AlogP: -1.48 Num_rotatable_bonds: 6
MolWt: 424.45 Num_heavy_atoms: 28
TPSA: 174.91 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
AD27447
Formula: C10H14O2N

Smiles:
COc1cccc2c1CC([NH3+])CO2
HBA: 3 RingCount: 2
HBD: 3 FractionCSP3: 0.4
AlogP: 0.24 Num_rotatable_bonds: 1
MolWt: 180.23 Num_heavy_atoms: 13
TPSA: 46.1 NumAromaticRings: 1

Sugarmoiety
SD03900

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