Glycoside
...
GD081090

Name:
None

Formula:
C17H28O9NS

Smiles:
COc1cccc2c1CC[C@H]([NH2+][C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)C2

Aglycone:
COS(O)(O)O.COc1cccc2c1CCC([NH3+])C2

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 8 FractionCSP3: 0.65
AlogP: -0.92 Num_rotatable_bonds: 6
MolWt: 422.48 Num_heavy_atoms: 28
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
AD29085
Formula: C11H16ON

Smiles:
COc1cccc2c1CCC([NH3+])C2
HBA: 2 RingCount: 2
HBD: 3 FractionCSP3: 0.45
AlogP: 0.79 Num_rotatable_bonds: 1
MolWt: 178.25 Num_heavy_atoms: 13
TPSA: 36.87 NumAromaticRings: 1

Sugarmoiety
SD03900

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