Glycoside
...
GD090565

Name:
None

Formula:
C17H34O10NS

Smiles:
CC(C)(C)OC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CC1

Aglycone:
CC(C)(C)OC(=O)C1CCC([NH3+])CC1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 8 FractionCSP3: 0.94
AlogP: -0.59 Num_rotatable_bonds: 6
MolWt: 444.52 Num_heavy_atoms: 29
TPSA: 182.75 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
AD33038
Formula: C11H22O2N

Smiles:
CC(C)(C)OC(=O)C1CCC([NH3+])CC1
HBA: 3 RingCount: 1
HBD: 3 FractionCSP3: 0.91
AlogP: 1.13 Num_rotatable_bonds: 1
MolWt: 200.3 Num_heavy_atoms: 14
TPSA: 53.94 NumAromaticRings: 0

Sugarmoiety
SD03900

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