Glycoside
...
GD098035

Name:
None

Formula:
C20H32O10NS

Smiles:
CC(=O)Oc1ccc([C@H]2CC[C@@H]([NH2+][C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)CC2)cc1

Aglycone:
CC(=O)Oc1ccc(C2CCC([NH3+])CC2)cc1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 8 FractionCSP3: 0.65
AlogP: 0.16 Num_rotatable_bonds: 7
MolWt: 478.54 Num_heavy_atoms: 32
TPSA: 182.75 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
AD36185
Formula: C14H20O2N

Smiles:
CC(=O)Oc1ccc(C2CCC([NH3+])CC2)cc1
HBA: 3 RingCount: 2
HBD: 3 FractionCSP3: 0.5
AlogP: 1.88 Num_rotatable_bonds: 2
MolWt: 234.32 Num_heavy_atoms: 17
TPSA: 53.94 NumAromaticRings: 1

Sugarmoiety
SD03900

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