Glycoside
...
GD093856

Name:
None

Formula:
C17H34O12NS

Smiles:
CCOC(=O)CCC(CCC(=O)OCC)[NH2+][C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
CCOC(=O)CCC([NH3+])CCC(=O)OCC.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 13 RingCount: 1
HBD: 8 FractionCSP3: 0.88
AlogP: -1.43 Num_rotatable_bonds: 13
MolWt: 476.52 Num_heavy_atoms: 31
TPSA: 209.05 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
AD33673
Formula: C11H22O4N

Smiles:
CCOC(=O)CCC([NH3+])CCC(=O)OCC
HBA: 5 RingCount: 0
HBD: 3 FractionCSP3: 0.82
AlogP: 0.28 Num_rotatable_bonds: 8
MolWt: 232.3 Num_heavy_atoms: 16
TPSA: 80.24 NumAromaticRings: 0

Sugarmoiety
SD03900

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