Glycoside
...
GD090553

Name:
None

Formula:
C18H30O10NS

Smiles:
COc1ccc([C@@H]2C[C@H]([NH2+][C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)CCO2)cc1

Aglycone:
COS(O)(O)O.COc1ccc(C2CC([NH3+])CCO2)cc1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 8 FractionCSP3: 0.67
AlogP: -0.56 Num_rotatable_bonds: 7
MolWt: 452.5 Num_heavy_atoms: 30
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
AD39396
Formula: C12H18O2N

Smiles:
COc1ccc(C2CC([NH3+])CCO2)cc1
HBA: 3 RingCount: 2
HBD: 3 FractionCSP3: 0.5
AlogP: 1.16 Num_rotatable_bonds: 2
MolWt: 208.28 Num_heavy_atoms: 15
TPSA: 46.1 NumAromaticRings: 1

Sugarmoiety
SD03900

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