Glycoside
...
GD088722

Name:
None

Formula:
C17H34O10NS

Smiles:
CC1(C)COC2(CCC([NH2+][C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)CC2)OC1

Aglycone:
CC1(C)COC2(CCC([NH3+])CC2)OC1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 8 FractionCSP3: 1.0
AlogP: -0.78 Num_rotatable_bonds: 5
MolWt: 444.52 Num_heavy_atoms: 29
TPSA: 174.91 NumAromaticRings: 0

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
AD33059
Formula: C11H22O2N

Smiles:
CC1(C)COC2(CCC([NH3+])CC2)OC1
HBA: 3 RingCount: 2
HBD: 3 FractionCSP3: 1.0
AlogP: 0.94 Num_rotatable_bonds: 0
MolWt: 200.3 Num_heavy_atoms: 14
TPSA: 46.1 NumAromaticRings: 0

Sugarmoiety
SD03900

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